Search

Colonization is understood as a determinant of health for Indigenous people globally. Understanding colonization through a lens of historical trauma offers new insights into the field of Aboriginal young peoples’ health and wellbeing. Grounded in the Indigenous research paradigm, this study conducted interviews with 15 Aboriginal young people living on Gamilaroi Country, New South Wales, Australia. Three stories are presented to explain how Aboriginal young people understand their resilience, strength and resistance as an integral component of historical trauma. Aboriginal young people identified the need to connect and to continue to draw strength from their ancestors and to be cognizant of the hope and strengths they have as Aboriginal people and describe how this strength can ensure Aboriginal culture is sustained for generations to come.

Colonization is understood as a determinant of health for Indigenous people globally. Understanding colonization through a lens of historical trauma offers new insights into the field of Aboriginal young peoples’ health and wellbeing. Grounded in the Indigenous research paradigm, this study conducted interviews with 15 Aboriginal young people living on Gamilaroi Country, New South Wales, Australia. Three stories are presented to explain how Aboriginal young people understand their resilience, strength and resistance as an integral component of historical trauma. Aboriginal young people identified the need to connect and to continue to draw strength from their ancestors and to be cognizant of the hope and strengths they have as Aboriginal people and describe how this strength can ensure Aboriginal culture is sustained for generations to come.

UNLABELLED: The objective of this review is to use a decolonised, Indigenist lens to understand the definition of solastalgia from an Aboriginal perspective, as a potential emotional response experienced by Aboriginal communities impacted by increasingly frequent natural disasters, such as bushfires. Initial search results revealed a lack of literature referencing solastalgia in an Aboriginal-specific context. Indigenist research methodologies such as Heuristic inquiry and Aboriginal Participatory Action Research (APAR) contributed to the identification of alternative terminologies, which led to the majority of the included publications referring to solastalgia-related concepts, with one included publication mentioning solastalgia specifically. These methods were consequently used to synthesize data, confirm results and contribute to final discussions. Lastly, our results determined that at this stage there is insufficient evidence to conclusively suggest that Aboriginal Peoples in a general sense, experience solastalgia. Acknowledging the ethical dilemma and potential harm of generalising personal philosophies and experiences based on Culture. Thereby, signify the need for further research in this space and in particular, from a decolonised, Indigenist perspective. PREFACE: In the context of this review, we as co-authors are mindful of and respect the tensions or politics associated with proclaiming or discussing the identities of Australia's First Peoples. Therefore, in the context of this review, the often preferred term Aboriginal refers to the traditional owners of Australia. Where possible, traditional place/tribe names are written to acknowledge the ownership and origins of the information referenced within this review. Furthermore, we wish to acknowledge the storeys and traditional knowledge shared by the authors of the studies referenced within this review. These words of Country and Kin have contributed to the development and conceptualisation of this lite

This paper emerged from discussions between the authors about our shared and different perspectives of climate change and its impact on the social, emotional, physical, spiritual and cultural wellbeing of Aboriginal Peoples and mental health services in a rural region, heavily impacted in recent years by bushfires and floods. Here we discuss, from the lead authors personal perspective as a Gamilaraay Woman, the experience of Solastalgia as a critical impact of climate change on wellbeing. Specifically, we discuss the relationship of a connection to country from a Gamilaraay, first person perspective through a series of diary entries from the lead author. Authors are researchers from different cultural backgrounds, connected through a medical research futures fund research project, to promote resilience within Aboriginal communities and the health services sector in the New England, North West region. The lead author has cultural connections to some of the communities we work with and our work is informed by these connections. While this paper was written to express an Aboriginal perspective on climate change and wellbeing, it reflects our shared perspectives of how disasters such as bushfires impact the wellbeing of Aboriginal peoples. We also explore the connection between the impact of localised, recurring natural disasters and the increasing demands on mental health services in regional and rural areas and discuss what this means with Aboriginal and non-Indigenous mental health nurses and researchers working in regional and rural areas where access to mental health services often poses considerable challenges. From our perspective, mental health research and nursing play an important role in walking alongside Aboriginal Peoples as we explore, respond and create resilience to the ever-present influence that climate change is having on our lives, communities, country and workplaces.

This paper emerged from discussions between the authors about our shared and different perspectives of climate change and its impact on the social, emotional, physical, spiritual and cultural wellbeing of Aboriginal Peoples and mental health services in a rural region, heavily impacted in recent years by bushfires and floods. Here we discuss, from the lead authors personal perspective as a Gamilaraay Woman, the experience of Solastalgia as a critical impact of climate change on wellbeing. Specifically, we discuss the relationship of a connection to country from a Gamilaraay, first person perspective through a series of diary entries from the lead author. Authors are researchers from different cultural backgrounds, connected through a medical research futures fund research project, to promote resilience within Aboriginal communities and the health services sector in the New England, North West region. The lead author has cultural connections to some of the communities we work with and our work is informed by these connections. While this paper was written to express an Aboriginal perspective on climate change and wellbeing, it reflects our shared perspectives of how disasters such as bushfires impact the wellbeing of Aboriginal peoples. We also explore the connection between the impact of localised, recurring natural disasters and the increasing demands on mental health services in regional and rural areas and discuss what this means with Aboriginal and non-Indigenous mental health nurses and researchers working in regional and rural areas where access to mental health services often poses considerable challenges. From our perspective, mental health research and nursing play an important role in walking alongside Aboriginal Peoples as we explore, respond and create resilience to the ever-present influence that climate change is having on our lives, communities, country and workplaces.

UNLABELLED: The objective of this review is to use a decolonised, Indigenist lens to understand the definition of solastalgia from an Aboriginal perspective, as a potential emotional response experienced by Aboriginal communities impacted by increasingly frequent natural disasters, such as bushfires. Initial search results revealed a lack of literature referencing solastalgia in an Aboriginal-specific context. Indigenist research methodologies such as Heuristic inquiry and Aboriginal Participatory Action Research (APAR) contributed to the identification of alternative terminologies, which led to the majority of the included publications referring to solastalgia-related concepts, with one included publication mentioning solastalgia specifically. These methods were consequently used to synthesize data, confirm results and contribute to final discussions. Lastly, our results determined that at this stage there is insufficient evidence to conclusively suggest that Aboriginal Peoples in a general sense, experience solastalgia. Acknowledging the ethical dilemma and potential harm of generalising personal philosophies and experiences based on Culture. Thereby, signify the need for further research in this space and in particular, from a decolonised, Indigenist perspective. PREFACE: In the context of this review, we as co-authors are mindful of and respect the tensions or politics associated with proclaiming or discussing the identities of Australia's First Peoples. Therefore, in the context of this review, the often preferred term Aboriginal refers to the traditional owners of Australia. Where possible, traditional place/tribe names are written to acknowledge the ownership and origins of the information referenced within this review. Furthermore, we wish to acknowledge the storeys and traditional knowledge shared by the authors of the studies referenced within this review. These words of Country and Kin have contributed to the development and conceptualisation of this lite

Listening to Country was an arts-led research project where, as an interdisciplinary team of practitioner-researchers, we worked with incarcerated Aboriginal and Torres Strait Islander women to produce a one-hour immersive audio work based on field recordings of natural environments. The project began with a pilot phase in Brisbane Women’s Correctional Centre (BWCC), Australia, to investigate the value of acoustic ecology in promoting wellbeing among women who were experiencing separation from family, culture, and Country (ancestral homelands). The team facilitated a three-week program with the women, using arts-led processes informed by visual art, performance, Indigenous storywork, and dadirri (deep, active listening). The soundscape presented here is a response to the creative process that we led inside the prison and the audio work that the incarcerated women co-created with the research team. The accompanying text describes the background to the original project, the process we undertook in the prison, and our methodology for translating knowledge from the research based on the acoustic and poetic resonances of our experience.

Research shows that prison programs addressing intergenerational trauma and grief, loss of culture and spiritual healing are necessary for incarcerated Aboriginal and Torres Strait Islander peoples. Indigenous-led or culturally focused programs receive little attention and limited resourcing in Australia’s prison system compared with mainstream rehabilitation programs. Depending on the jurisdiction and prison, such programs can be even less accessible for Aboriginal and Torres Strait Islander women. Listening to Country was an arts-based prison pilot project that was developed by and delivered to Aboriginal and Torres Strait Islander women in the Brisbane Women’s Correctional Centre. It aimed to explore the role of acoustic ecology, soundscape and deep listening in connection to culture and Country. This article presents findings from a process evaluation of that pilot project in order to illustrate the potential for Indigenous-led, culturally focused and culturally safe prison programs to improve wellbeing for incarcerated Indigenous peoples.

Background: Australian Nursing and Midwifery Accreditation Council prescribes midwifery accreditation standards that support students’ development in Aboriginal and Torres Strait Islander Health and cultural safety to be deemed practice ready. However, the impact of training programmes are not widely explored. Aim: This study aimed to assess the impact of a mandatory 8-week online subject focussed on the development of culturally safe practices among midwifery students. Methods: The Ganngaleh nga Yagaleh cultural safety assessment tool was used to collect online quantitative data from post graduate midwifery students at the commencement and completion of an online subject. Results: Through a purposive sample (n = 10) participant perceptions of culturally safe practices remained relatively unchanged, except for three items of the Ganngaleh nga Yagaleh cultural safety assessment tool. Discussion: Findings demonstrate that when post graduate midwifery students are exposed to Aboriginal and Torres Strait Islander perspectives of Australia’s colonial history it impacts their sense of optimism, personal values and beliefs about the healthcare they will provide to Aboriginal and Torres Strait Islander peoples. However, midwifery students who self-identified as Aboriginal and/or Torres Strait Islander people, reported a decline in optimism when imagining a healthcare system free of racism. Conclusion: The subject did not impact on cultural safety scores. This may be due to prior learning of student midwives. Educators should consider building on prior knowledge in post graduate midwifery to ensure the content is contextualised to midwifery.

The 2020 International Year of the Nurse and Midwife has harshly revealed the need to increase the nursing and midwifery workforce and for the disciplines to invest in anti-racism initiatives. The World Health Organization (WHO) (2020) has called for a marked increase in the numbers of nurses and midwives, academics and students. However, to ensure the cultural safety of patients and staff, WHO (2020) stated this increase in workforce must include clinicians and educators from underrepresented populations, in particular Indigenous populations. Stemming from our experiences as First Nations nurses, midwives, practitioners, researchers, educators, and allies, this editorial outlines our agenda to reform Indigenous health and cultural safety curricula in Australian higher education institutions.

The 2020 International Year of the Nurse and Midwife has harshly revealed the need to increase the nursing and midwifery workforce and for the disciplines to invest in anti-racism initiatives. The World Health Organization (WHO) (2020) has called for a marked increase in the numbers of nurses and midwives, academics and students. However, to ensure the cultural safety of patients and staff, WHO (2020) stated this increase in workforce must include clinicians and educators from underrepresented populations, in particular Indigenous populations. Stemming from our experiences as First Nations nurses, midwives, practitioners, researchers, educators, and allies, this editorial outlines our agenda to reform Indigenous health and cultural safety curricula in Australian higher education institutions.

Background: Deadly Liver Mob (DLM) is a peer-driven, incentivised health promotion program aimed at increasing understanding of hepatitis C, promoting harm reduction in relation to injecting drug use, and linking participants to screening for hepatitis C, other blood borne viruses and sexually transmissible infections among Aboriginal people in Western Sydney, NSW. This paper presents the evaluation of a pilot study examining the acceptability of the program as a first step of a scalability assessment. Methods: Deadly Liver Mob operated in co-located needle and syringe programs and sexual health clinics in two sites: (Site 1: two and a half years for 2 days/week; Site 2: 1 year for 1 day per week). Comparisons were made of the proportion of Aboriginal clients (Site 1) and occasions of service provided to Aboriginal clients (Site 2) in the 12 months prior and post-introduction of DLM. Interviews were conducted with 13 staff involved in delivery of DLM and with 19 clients. Results: A total of 655 and 55 Aboriginal clients, respectively, attended Site 1 and Site 2 for health education. The proportion of Aboriginal clients attending both sites was significantly higher during the DLM compared with prior to its implementation. Of those attending for health education, 79 and 73%, respectively, attended screening following education. DLM clients strongly endorsed the program. Some staff were concerned about workforce capacity to effectively engage Aboriginal clients with multiple and complex needs, managing the differing aims of the participating services involved, and about offering of incentives for attendance at health services. Conclusion: While acceptability was high among staff and clients and preliminary results show high engagement with Aboriginal communities, this evaluation of a pilot program raises some issues to consider in scale up of DLM to other sites. The initiation of additional DLM sites should address issues of alignment with governing strategies and work

BACKGROUND: Although cancer in indigenous populations is receiving increased research attention, there is a gap in understanding the particular experiences of Aboriginal men. OBJECTIVE:: The aim of this study is to integrate a range of primary and secondary accounts of the experiences of Aboriginal men in engaging with a cancer diagnosis and treatment in Australia. METHODS:: Secondary analysis of qualitative interviews (n = 54) conducted between 2008 and 2011 revealed recurrent themes regarding the cancer experiences of Aboriginal men in a subset of participant interviews (n = 23). The analysis reports themes that spanned the accounts of Aboriginal men with cancer (n = 6) and those of their carers (n = 12) and clinicians (n = 5). RESULTS:: Recurrent beliefs about the cancer experiences of Aboriginal men included that they “avoid seeking help” for health matters, including cancer symptoms, and to “get on with it,” “not talk about it,” and “manage without fuss” after a cancer diagnosis. Although some men described having to “accept vulnerability,” emphasis was placed on appreciating men’s desire to “protect cultural roles” and “connect with family and culture” throughout care and treatment, including through humor. CONCLUSIONS:: Men’s accounts of the experiences of cancer diagnosis and care reveal more than simply individual challenge, extending to encompass the very real social and economic implications of illness and vulnerability for Aboriginal men today. IMPLICATIONS FOR PRACTICE:: Aboriginal men could be better engaged with cancer diagnosis and treatment if greater attention was paid to recognizing preferred approaches, including pragmatism and humor, and supporting connections to family and culture throughout the cancer journey.

This paper presents a poem created whilst conducting an inquiry into one of the endings of stories told of, and by, people living with mental illness: this story ending is grouped by a word (and social movement) widely known as Recovery in mental health care. Recovery, however, is not a word commonly used in the places where this Inquiry occurred. Nor is it a category of story ending often told about Australian Aboriginal people living with a diagnosis of chronic mental illness. This inquiry was, and is, thus focussed on how the current endings of stories that surround Australian Aboriginal peoples in mental health care are being/were told and “heard”. This paper is an attempt to use poetry as a therapeutic and storytelling strategy to highlight the difference between hearing and listening, and how that difference relates to the word Recovery as a paradigm shift and story of social change.

This paper presents a poem created whilst conducting an inquiry into one of the endings of stories told of, and by, people living with mental illness: this story ending is grouped by a word (and social movement) widely known as Recovery in mental health care. Recovery, however, is not a word commonly used in the places where this Inquiry occurred. Nor is it a category of story ending often told about Australian Aboriginal people living with a diagnosis of chronic mental illness. This inquiry was, and is, thus focussed on how the current endings of stories that surround Australian Aboriginal peoples in mental health care are being/were told and “heard”. This paper is an attempt to use poetry as a therapeutic and storytelling strategy to highlight the difference between hearing and listening, and how that difference relates to the word Recovery as a paradigm shift and story of social change.

© 2015 Bainbridge et al. Background: There remains a concern that Indigenous Australians have been over-researched without corresponding improvements in their health; this trend is applicable to most Indigenous populations globally. This debate article has a dual purpose: 1) to open a frank conversation about the value of research to Indigenous Australian populations; and 2) to stimulate ways of thinking about potential resolutions to the lack of progress made in the Indigenous research benefit debate. Discussion: Capturing the meaning of research benefit takes the form of ethical value-oriented methodological considerations in the decision-making processes of Indigenous research endeavours. Because research practices come from Western knowledge bases, attaining such positions in research means reconciling both Indigenous and Western knowledge systems to produce new methodologies that guide planning, evaluating and monitoring of research practices as necessary. Increasingly, more sophisticated performance measures have been implemented to ensure academic impact and benefits are captured. Assessing societal and other non-academic impacts and benefits however, has not been accorded corresponding attention. Research reform has only focussed on research translation in more recent years. The research impact debate must take account of the various standards of accountability (to whom), impact priorities (for whom), positive and negative impacts, and biases that operate in describing impact and measuring benefit. Summary: A perennial question in Indigenous research discourse is whether the abundance of research conducted; purportedly to improve health, is justified and benefits Indigenous people in ways that are meaningful and valued by them. Different research stakeholders have different conceptions of the value and nature of research, its conduct, what it should achieve and the kinds of benefits expected. We need to work collaboratively and listen more closely to the voi

© 2015 Bainbridge et al. Background: There remains a concern that Indigenous Australians have been over-researched without corresponding improvements in their health; this trend is applicable to most Indigenous populations globally. This debate article has a dual purpose: 1) to open a frank conversation about the value of research to Indigenous Australian populations; and 2) to stimulate ways of thinking about potential resolutions to the lack of progress made in the Indigenous research benefit debate. Discussion: Capturing the meaning of research benefit takes the form of ethical value-oriented methodological considerations in the decision-making processes of Indigenous research endeavours. Because research practices come from Western knowledge bases, attaining such positions in research means reconciling both Indigenous and Western knowledge systems to produce new methodologies that guide planning, evaluating and monitoring of research practices as necessary. Increasingly, more sophisticated performance measures have been implemented to ensure academic impact and benefits are captured. Assessing societal and other non-academic impacts and benefits however, has not been accorded corresponding attention. Research reform has only focussed on research translation in more recent years. The research impact debate must take account of the various standards of accountability (to whom), impact priorities (for whom), positive and negative impacts, and biases that operate in describing impact and measuring benefit. Summary: A perennial question in Indigenous research discourse is whether the abundance of research conducted; purportedly to improve health, is justified and benefits Indigenous people in ways that are meaningful and valued by them. Different research stakeholders have different conceptions of the value and nature of research, its conduct, what it should achieve and the kinds of benefits expected. We need to work collaboratively and listen more closely to the voi

Cancer outcomes for Aboriginal Australians are poorer when compared with cancer outcomes for non-Aboriginal Australians despite overall improvements in cancer outcomes. One concept used to examine inequities in health outcomes between groups is health literacy. Recent research and advocacy have pointed to the importance of increasing health literacy as it relates to cancer among Aboriginal people. This study examined individual, social and cultural aspects of health literacy relevant to cancer among Aboriginal patients, carers and their health workers in New South Wales. Qualitative interviews were conducted with 22 Aboriginal people who had been diagnosed with cancer, 18 people who were carers of Aboriginal people with cancer and 16 healthcare workers (eight Aboriginal and eight non-Aboriginal health workers). Awareness, knowledge and experience of cancer were largely absent from people's lives and experiences until they were diagnosed, illustrating the need for cancer awareness raising among Aboriginal people, communities and services. Some beliefs about cancer (particularly equating cancer to death) differed from mainstream Western biomedical views of the body and cancer and this served to silence discussion on cancer. As such, these beliefs can be used to inform communication and help illuminate how beliefs can shape responses to cancer. Participants proposed some practical strategies that could work to fill absences in knowledge and build on beliefs about cancer. These results were characterised by a silence about cancer, an absence of discussions of cancer and an acknowledgement of an already full health agenda for Aboriginal communities. To promote health literacy in relation to cancer would require a multi-layered programme of work involving grass-roots community education, workers and Board members of Aboriginal community-controlled health organisations and speciality cancer services, with a particular focus on programmes to bridge community-based primary c

Objectives: Cancer is the second biggest killer of Aboriginal Australians. For some cancers, the mortality rate is more than three times higher in Aboriginal people than for non-Aboriginal people. The Aboriginal Patterns of Cancer Care Study explored barriers to and facilitators of cancer diagnosis and treatment among Aboriginal and Torres Strait Islander people in New South Wales. Design: Our team ¿ which includes both Aboriginal and non-Aboriginal researchers ¿ conducted in-depth interviews between 2009 and 2010 with Aboriginal people with cancer, their carers and health professionals who care for them. In this paper we identify recurrent patterns of ¿discursive framing¿ in the 16 interviews with health care professionals. We are particularly interested in how these frames assisted participants in constructing a professional position on what ¿cultural difference¿ means for the design and delivery of cancer care services to Aboriginal people. Results: Despite geographical, organizational, disciplinary and cultural diversity, these interview participants consistently drew upon six discursive frames, which we have interpreted as either eliding a discussion of difference (¿everyone is the same¿ and ¿everyone is different¿) or facilitating that discussion (¿different priorities¿, ¿different practices¿, and ¿making difference safe¿). An additional strategy appeared to actively resist either of these positions but then tended to ultimately prioritise the eliding frames. Conclusions: While none of our participants were dismissive of the idea that cultural identity might matter to Aboriginal people, their reliance upon familiar narratives about what that means for cancer care services has the potential to both symbolically and practically exclude the voices of a group of people who may already feel disenfranchised from the mainstream health care system. Critically unpacking the ¿taken for granted¿ assumptions behind how health care professionals make sense of cultural diff

BACKGROUND: Experience with public engagement activities regarding the risks and benefits of science and technology (S&T) is growing, especially in the industrialized world. However, public engagement in the developing world regarding S&T risks and benefits to explore health issues has not been widely explored. METHODS: This paper gives an overview about public engagement and related concepts, with a particular focus on challenges and benefits in the developing world. We then describe an Internet-based platform, which seeks to both inform and engage youth and the broader public on global water issues and their health impacts. Finally, we outline a possible course for future action to scale up this and similar online public engagement platforms. RESULTS: The benefits of public engagement include creating an informed citizenry, generating new ideas from the public, increasing the chances of research being adopted, increasing public trust, and answering ethical research questions. Public engagement also fosters global communication, enables shared experiences and methodology, standardizes strategy, and generates global viewpoints. This is especially pertinent to the developing world, as it encourages previously marginalized populations to participate on a global stage. One of the core issues at stake in public engagement is global governance of science and technology. Also, beyond benefiting society at large, public engagement in science offers benefits to the scientific enterprise itself. CONCLUSION: Successful public engagement with developing world stakeholders will be a critical part of implementing new services and technologies. Interactive engagement platforms, such as the Internet, have the potential to unite people globally around relevant health issues.

The OH vibrational frequency of four crystalline compounds ranging from ionic (brucite, Mg(OH)(2), and portlandite, Ca(OH)(2)) to semi-covalent (edingtonite, as representative of free surface OH groups in silica, and acid chabazite, as representative of acid zeolites) has been investigated at quantum mechanical level with the CRYSTAL program using the B3LYP hybrid functional. The OH vibration is calculated in two ways: (i) in the harmonic approximation, by diagonalizing the fully coupled dynamical matrix to yield the harmonic frequency omega(h). (ii) at the anharmonic level, by decoupling the OH stretching mode from the bulk phonons and by numerically solving the one-dimensional Schrodinger equation associated with the OH potential energy to yield the fundamental omega(01) and the first overtone omega(02) frequencies. The harmonic and anharmonic frequencies differ by more than 150 cm(-1). In the cases where direct comparison is possible ( brucite, portlandite and edingtonite), the experimental and calculated frequencies differ by less than 10 cm(-1); the calculated anharmonicity constant, omega(e)x(e) (2 omega(01) - omega(02))/2, is systematically smaller than the experimental value by about 10 cm(-1). The effect of the computational parameters on the computed frequencies is explored, with particular attention to the grid used for the construction of the DFT exchange and correlation contribution to the Hamiltonian and the accuracy in the geometry optimisation

The vibrational spectrum of Ca3Fe2Si3O12 andradite is calculated at the point by using the periodic ab initio CRYSTAL program that adopts an all-electron Gaussian-type basis set and the B3LYP Hamiltonian. The full set of frequencies (17 IR active, 25 Raman active, and 55 inactive modes) is calculated. The effect of the basis set on the calculated frequencies is discussed. The modes are characterized by direct inspection of the eigenvectors and isotopic substitution. The present calculations permit us to clarify some of the assignment problems raised by experiments. The mean absolute differences of the various modes with respect to the available experimental IR and Raman data are as small as 9 and 5 cm-1, respectively.

A two stage approach to performing ab initio calculations on medium and large sized molecules is described. The first step is to perform SCF calculations on small molecules or molecular fragments using the OPIT Program. This employs a small basis set of spherical and p-type Gaussian functions. The Gaussian functions can be identified very closely with atomic cores, bond pairs, lone pairs, etc. The position and exponent of any of the Gaussian functions can be varied by OPIT to produce a small but fully optimised basis set. The second stage is the molecular fragments method. As an example of this, Gaussian exponents and distances are taken from an OPIT calculation on ethylene and used unchanged in a single SCF calculation on benzene. Approximate ab initio calculations of this type give much useful information and are often preferable to semi-empirical approaches, since the nature of the approximations involved is much better defined.

A two stage approach to performing ab initio calculations on medium and large sized molecules is described. The first step is to perform SCF calculations on small molecules or molecular fragments using the OPIT Program. This employs a small basis set of spherical and p-type Gaussian functions. The Gaussian functions can be identified very closely with atomic cores, bond pairs, lone pairs, etc. The position and exponent of any of the Gaussian functions can be varied by OPIT to produce a small but fully optimised basis set. The second stage is the molecular fragments method. As an example of this, Gaussian exponents and distances are taken from an OPIT calculation on ethylene and used unchanged in a single SCF calculation on benzene. Approximate ab initio calculations of this type give much useful information and are often preferable to semi-empirical approaches, since the nature of the approximations involved is much better defined.

A two stage approach to performing ab initio calculations on medium and large sized molecules is described. The first step is to perform SCF calculations on small molecules or molecular fragments using the OPIT Program. This employs a small basis set of spherical and p-type Gaussian functions. The Gaussian functions can be identified very closely with atomic cores, bond pairs, lone pairs, etc. The position and exponent of any of the Gaussian functions can be varied by OPIT to produce a small but fully optimised basis set. The second stage is the molecular fragments method. As an example of this, Gaussian exponents and distances are taken from an OPIT calculation on ethylene and used unchanged in a single SCF calculation on benzene. Approximate ab initio calculations of this type give much useful information and are often preferable to semi-empirical approaches, since the nature of the approximations involved is much better defined.

A two stage approach to performing ab initio calculations on medium and large sized molecules is described. The first step is to perform SCF calculations on small molecules or molecular fragments using the OPIT Program. This employs a small basis set of spherical and p-type Gaussian functions. The Gaussian functions can be identified very closely with atomic cores, bond pairs, lone pairs, etc. The position and exponent of any of the Gaussian functions can be varied by OPIT to produce a small but fully optimised basis set. The second stage is the molecular fragments method. As an example of this, Gaussian exponents and distances are taken from an OPIT calculation on ethylene and used unchanged in a single SCF calculation on benzene. Approximate ab initio calculations of this type give much useful information and are often preferable to semi-empirical approaches, since the nature of the approximations involved is much better defined.

A two stage approach to performing ab initio calculations on medium and large sized molecules is described. The first step is to perform SCF calculations on small molecules or molecular fragments using the OPIT Program. This employs a small basis set of spherical and p-type Gaussian functions. The Gaussian functions can be identified very closely with atomic cores, bond pairs, lone pairs, etc. The position and exponent of any of the Gaussian functions can be varied by OPIT to produce a small but fully optimised basis set. The second stage is the molecular fragments method. As an example of this, Gaussian exponents and distances are taken from an OPIT calculation on ethylene and used unchanged in a single SCF calculation on benzene. Approximate ab initio calculations of this type give much useful information and are often preferable to semi-empirical approaches, since the nature of the approximations involved is much better defined.