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Martin Lund,1 Torben B Pedersen,1 Søren Feddersen,2,3 Louise D Østergaard,1,3 Charlotte A Poulsen,1 Christian Enggaard,2 Mads HA Poulsen,1,3 Lars Lund1,3 1Department of Urology, Odense University Hospital, Odense, Denmark; 2Department of Clinical Biochemistry and Pharmacology, Odense University Hospital, Odense, Denmark; 3Department of Clinical Research, University of Southern Denmark, Odense, DenmarkCorrespondence: Lars Lund, Department of Urology, Odense University Hospital, Sdr. Boulevard 29, Odense, 5000, Denmark, Tel +45 5140 8982, Fax +45 6541 1726, Email Lars.Lund@rsyd.dkPurpose: Serum levels of the polypeptide chemokine C-C motif ligand 2 (CCL2) have previously shown potential as a prostate cancer diagnostic and prognostic biomarker. Plasma CCL2 levels may be superior to serum levels as a biomarker because of their potentially lower signal-to-noise ratio.Materials and Methods: Before initiating a large comparative study of plasma and serum CCL2 levels, we performed a prospective, diagnostic pilot study Of 133 individuals from a clinically relevant population. CCL2 plasma levels were measured using a validated assay kit. Plasma was obtained independently of digital rectal examination.Results: In this pilot study, we found no relationship between CCL2 plasma values and risk of proven prostate cancer, whereas previous studies found a strong diagnostic relationship between CCL2 serum values and prostate cancer.Conclusion: Our contribution to the existing literature strengthens the idea that early in the pathological process, CCL2 mainly circulates in large, membrane-enclosed compartments, whereas plasma CCL2 levels increase markedly during disease progression. We conclude that whereas plasma CCL2 levels are not useful as a diagnostic measure, a ratio of CCL2 plasma to serum levels may prove useful as a marker of disease progression, which warrants further study.Keywords: diagnostics, liquid biopsy, CCL2, monocyte chemoattractant protein 1, MCP1

In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles, and approximate triples method. We demonstrate the validity of our derivation and implementation using specific applications of frequency-dependent properties. Terms with triples are calculated and added to the existing CCSD equations, giving the method a nominal O ( N 7 ) scaling. We also use a graphics processing unit accelerated implementation to reduce the computational cost, which we find can speed up the calculation by up to a factor of 13 for test cases of water clusters. In addition, we compare the impact of using single-precision arithmetic compared to conventional double-precision arithmetic. We find no significant difference in polarizabilities and optical-rotation tensor results but a somewhat larger error for first hyperpolarizabilities. Compared to linear response CC3 results, the percentage errors of RT-CC3 polarizabilities and RT-CC3 first hyperpolarizabilities are under 0.1 and 1%, respectively, for a water-molecule test case in a double-ζ basis set. Furthermore, we compare the dynamic polarizabilities obtained using RT-CC3, RT-CCSD, and time-dependent nonorthogonal orbital-optimized coupled cluster doubles (TDNOCCDs) in order to examine the performance of RT-CC3 and the orbital-optimization effect using a set of ten-electron systems.

Background: The burden of Clostridioides difficile as a nosocomial- and community-acquired pathogen has been increasing over the recent decades, including reports of severe outbreaks. Molecular and virulence genotyping are central for the epidemiological surveillance of this pathogen, but need to balance accuracy and rapid turnaround time of the results. While Illumina short-read sequencing has been adopted as the gold standard to investigate C. difficile virulence and transmission routes, little is known about the potential of Nanopore long-read sequencing in this field. The goal of our study was to compare sequencing and assembly quality of 37 C. difficile isolates using Illumina (SPAdes assembled) and Nanopore (Flye and Unicycler assembled) data alone, along with hybrid assemblies obtained with short-read polishing of long reads., Results: Illumina sequencing produced reads with an average quality of 99.68% (Q25), while Nanopore sequencing produced reads reaching an average quality of 96.84% (Q15), showing a tenfold difference in quality. Sequence type (ST) designation from Nanopore assemblies failed to detect ST5, ST7, ST8, ST13 and ST49, while ST designation based on unpolished Nanopore reads using Krocus was successful for all STs. Nanopore sequences exhibited an average of 640 base errors per genome (~ 0.015% substitution rate), which was reflected by the incorrect assignment of over 180 alleles in core genome multilocus sequence typing (cgMLST) analysis. As a result, Nanopore-derived phylogenies were not as accurate as the Illumina reference, and therefore inadequate for precise investigation of transmission events. Both sequencing platforms provided comparable, satisfactory results for the detection of virulence genes tcdA, tcdB, cdtAB and in-frame deletions in tcdC., Conclusion: Compared to Illumina, Nanopore has higher error rate, which limits its application for high-resolution epidemiological surveillance. However, the short analysis time, lower cost and more simple procedure combined with correctly identified STs and virulence genes, makes it an alternative when fast and less detailed analyses are preferred., Competing Interests: Declarations. Ethical approval: No ethical approval was required for this study since the data used was obtained as part of our routine surveillance program. Competing interests: The authors declare no competing interests., (© 2025. The Author(s).)

In a previous publication [S. E. Schrader et al., J. Chem. Phys. 161, 044105 (2024)], it has been shown that Rothe's method can be used to solve the time-dependent Schrödinger equation for the hydrogen atom in a strong laser field using time-dependent Gaussian wave packets. Here, we generalize these results, showing that Rothe's method can propagate arbitrary numbers of thawed, complex-valued, Explicitly Correlated Gaussian (ECGs) functions with dense correlation matrices for systems with varying dimensionality. We consider the multidimensional Hénon-Heiles potential and show that the dynamics can be quantitatively reproduced using only 30 Gaussians in 2D and that accurate spectra can be obtained using 20 Gaussians in 2D and 30-40 Gaussians in 3D and 4D. Therefore, the relevant multidimensional dynamics can be described at high quality using only a small number of ECGs that give a very compact representation of the wave function. This efficient representation, along with the demonstrated ability of Rothe's method to propagate Gaussian wave packets in strong fields and ECGs in complex potentials, paves the way for accurate molecular dynamics calculations beyond the Born-Oppenheimer approximation in strong fields., (© 2025 Author(s). Published under an exclusive license by AIP Publishing.)

Purpose of Review: The advent of checkpoint immunotherapy has dramatically changed the outcomes for patients with cancer. However, a considerable number of patients have little or no response to therapy. We review recent findings on the connection between the gut microbiota and the immune system, exploring whether this link could enhance the effectiveness of immunotherapy., Recent Findings: Clinical studies have reported specific types of bacteria in larger quantities at baseline in responders than in non-responders, especially Akkermansia mucinifila, Ruminococcaceae, Faecalibacterium, and Lachnospiraceae. Following the consumption of a high-fiber diet, bacteria in the gut ferment dietary fiber to short-chain fatty acids (SCFAs), like acetate, propionate, and butyrate. Some of the SCFAs nurture intestinal epithelial cells, and some enter the bloodstream. Here SCFAs can activate DC8 + cytotoxic T-cells to induce cancer cell death. High fiber intake in the diet was associated with a reduced risk of progression or death during checkpoint immunotherapy. Recent findings demonstrate that high-fiber plant-based diets such as the Mediterranean Diet positively influence the gut microbiota whereas antibiotics and proton pump inhibitors can negatively influence outcomes of cancer immunotherapy by changing the gut microbiota. This narrative review provides evidence of an association between types of bacteria and their metabolites and favorable responses to checkpoint immunotherapy. Prospective clinical trials are needed to determine if diet interventions can improve treatment outcomes., Competing Interests: Declarations. Competing Interests: The authors do not have any potential conflicts of interest to disclose. Human and Animal Rights and Informed Conse: As this was a review paper, no human or animal research was conducted by the authors., (© 2024. The Author(s).)

The Fusarium solani species complex (FSSC) is comprised of important pathogens of plants and humans. A distinctive feature of FSSC species is perithecial pigmentation. While the dark perithecial pigments of other Fusarium species are derived from fusarubins synthesized by polyketide synthase 3 (PKS3), the perithecial pigments of FSSC are derived from an unknown metabolite synthesized by PKS35. Here, we confirm in FSSC species Fusarium vanettenii that PKS35 (fsnI) is required for perithecial pigment synthesis by deletion analysis and that fsnI is closely related to phnA from Penicillium herquei, as well as duxI from Talaromyces stipentatus, which produce prephenalenone as an early intermediate in herqueinone and duclauxin synthesis respectively. The production of prephenalenone by expression of fsnI in Saccharomyces cerevisiae indicates that it is also an early intermediate in perithecial pigment synthesis. We next identified a conserved cluster of 10 genes flanking fsnI in F. vanettenii that when expressed in F. graminearum led to the production of a novel corymbiferan lactone F as a likely end product of the phenalenone biosynthetic pathway in FSSC., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Author(s). Published by Elsevier Inc. All rights reserved.)

Recent advances in attosecond science have made it increasingly important to develop stable, reliable, and accurate algorithms and methods to model the time evolution of atoms and molecules in intense laser fields. A key process in attosecond science is high-harmonic generation, which is challenging to model with fixed Gaussian basis sets, as it produces high-energy electrons, with a resulting rapidly varying and highly oscillatory wave function that extends over dozens of ångström. Recently, Rothe's method, where time evolution is rephrased as an optimization problem, has been applied to the one-dimensional Schrödinger equation. Here, we apply Rothe's method to the hydrogen wave function and demonstrate that thawed, complex-valued Gaussian wave packets with time-dependent width, center, and momentum parameters are able to reproduce spectra obtained from essentially exact grid calculations for high-harmonic generation with only 50-181 Gaussians for field strengths up to 5 × 1014 W/cm2. This paves the way for the inclusion of continuum contributions into real-time, time-dependent electronic-structure theory with Gaussian basis sets for strong fields and eventually accurate simulations of the time evolution of molecules without the Born-Oppenheimer approximation., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

The assumptions underpinning the adiabatic Born-Oppenheimer (BO) approximation are broken for molecules interacting with attosecond laser pulses, which generate complicated coupled electronic-nuclear wave packets that generally will have components of electronic and dissociation continua as well as bound-state contributions. The conceptually most straightforward way to overcome this challenge is to treat the electronic and nuclear degrees of freedom on equal quantum-mechanical footing by not invoking the BO approximation at all. Explicitly correlated Gaussian (ECG) basis functions have proved successful for non-BO calculations of stationary molecular states and energies, reproducing rovibrational absorption spectra with very high accuracy. In this Article, we present a proof-of-principle study of the ability of fully flexible ECGs (FFECGs) to capture the intricate electronic and rovibrational dynamics generated by short, high-intensity laser pulses. By fitting linear combinations of FFECGs to accurate wave function histories obtained on a large real-space grid for a regularized 2D model of the hydrogen atom and for the 2D Morse potential, we demonstrate that FFECGs provide a very compact description of laser-driven electronic and rovibrational dynamics.

Fungal polyketides are a large group of secondary metabolites, valuable due to their diverse spectrum of pharmacological activities. Polyketide biosynthesis in filamentous fungi presents some challenges: small yield and low-purity titers. To tackle these issues, we switched to the yeast Yarrowia lipolytica , an easily cultivable heterologous host. As an oleaginous yeast, Y. lipolytica displays a high flux of acetyl- and malonyl-CoA precursors used in lipid synthesis. Likewise, acetyl- and malonyl-CoA are the building blocks of many natural polyketides, and we explored the possibility of redirecting this flux toward polyketide production. Despite its promising prospect, Y. lipolytica has so far only been used for heterologous expression of simple type III polyketide synthases (PKSs) from plants. Therefore, we decided to evaluate the potential of Y. lipolytica by targeting the more complex fungal polyketides synthesized by type I PKSs. We employed a CRISPR-Cas9-mediated genome editing method to achieve markerless gene integration of the genes responsible for bostrycoidin biosynthesis in Fusarium solani ( fsr1 , fsr2 , and fsr3 ) and 6-methylsalicylic acid (6-MSA) biosynthesis in Aspergillus hancockii (6MSAS). Moreover, we attempted titer optimization through metabolic engineering by overexpressing two enzymes, TGL4 and AOX2, involved in lipid β-oxidation, but we did not observe an effect on polyketide production. With maximum titers of 403 mg/L 6-MSA and 35 mg/L bostrycoidin, the latter being substantially higher than our previous results in Saccharomyces cerevisiae (2.2 mg/L), this work demonstrates the potential of Y. lipolytica as a platform for heterologous production of complex fungal polyketides., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Bejenari, Spedtsberg, Mathiesen, Jeppesen, Cernat, Toussaint, Apostol, Stoianov, Pedersen, Nielsen and Sørensen.)

Molecular structure, a key concept of chemistry, has remained elusive from the perspective of all-particle quantum mechanics, despite many efforts. Viewing molecular structure as a manifestation of strong statistical correlation between nuclear positions, we propose a practical method based on Markov chain Monte Carlo sampling and unsupervised machine learning. Application to the D 3 + molecule unambiguously shows that it possesses an equilateral triangular structure. These results provide a major step forward in our understanding of the molecular structure from fundamental quantum principles.

We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation expansions in the magnetic field strength, the formulation allows us to test the range of validity of the linear relation between the rotation angle per unit path length and the magnetic field strength that was established empirically by Verdet 160 years ago. Results obtained from time-dependent coupled-cluster and time-dependent current density-functional theory are presented for the closed-shell molecules H2, HF, and CO in magnetic fields up to 55 kT at standard temperature and pressure conditions. We find that Verdet's linearity remains valid up to roughly 10-20 kT, above which significant deviations from linearity are observed. Among the three current density-functional approximations tested in this work, the current-dependent Tao-Perdew-Staroverov-Scuseria hybrid functional performs the best in comparison with time-dependent coupled-cluster singles and doubles results for the magnetic optical rotation., (© 2023 Author(s). Published under an exclusive license by AIP Publishing.)

Recombinant plasmids are essential tools in molecular biotechnology, and reliable plasmid assembly methods have, therefore, become a prerequisite for the successful cloning and transfer of genes. Among the multitude of available plasmid assembly strategies, in vivo homologous recombinational cloning in yeast has emerged as a cost-effective and relatively simple method. Since we use this method routinely in our group for assembling large plasmids with secondary metabolite gene clusters and for direct heterologous production of polyketides in Saccharomyces cerevisiae , we developed an exercise module for undergraduate students where they would get hands-on experience with these molecular practices. The exercises target several molecular techniques, including PCR, restriction enzyme digestion, and yeast recombinational cloning. The students will learn about plasmid assembly and yeast transformation methods by performing these experiments while inherently acquiring new skills valuable for their subsequent laboratory work or projects., Competing Interests: The authors declare no conflict of interest., (Copyright © 2023 Bejenari et al.)

We present a novel function fitting method for approximating the propagation of the time-dependent electric dipole moment from real-time electronic structure calculations. Real-time calculations of the electronic absorption spectrum require discrete Fourier transforms of the electric dipole moment. The spectral resolution is determined by the total propagation time, i.e., the trajectory length of the dipole moment, causing a high computational cost. Our developed method uses function fitting on shorter trajectories of the dipole moment, achieving arbitrary spectral resolution through extrapolation. Numerical testing shows that the fitting method can reproduce high-resolution spectra by using short dipole trajectories. The method converges with as little as 100 a.u. dipole trajectories for some systems, though the difficulty converging increases with the spectral density. We also introduce an error estimate of the fit, reliably assessing its convergence and hence the quality of the approximated spectrum.

We propose a novel a posteriori error assessment for the single-reference coupled-cluster (SRCC) method called the S -diagnostic. We provide a derivation of the S -diagnostic that is rooted in the mathematical analysis of different SRCC variants. We numerically scrutinized the S -diagnostic, testing its performance for (1) geometry optimizations, (2) electronic correlation simulations of systems with varying numerical difficulty, and (3) the square-planar copper complexes [CuCl 4 ] 2- , [Cu(NH 3 ) 4 ] 2+ , and [Cu(H 2 O) 4 ] 2+ . Throughout the numerical investigations, the S -diagnostic is compared to other SRCC diagnostic procedures, that is, the T 1 , D 1 , max T 2 , and D 2 diagnostics as well as different indices of multideterminantal and multireference character in coupled-cluster theory. Our numerical investigations show that the S -diagnostic outperforms the T 1 , D 1 , max T 2 and D 2 diagnostics and is comparable to the indices of multideterminantal and multireference character in coupled-cluster theory in their individual fields of applicability. The experiments investigating the performance of the S -diagnostic for geometry optimizations using SRCC reveal that the S -diagnostic correlates well with different error measures at a high level of statistical relevance. The experiments investigating the performance of the S -diagnostic for electronic correlation simulations show that the S -diagnostic correctly predicts strong multireference regimes. The S -diagnostic, moreover, correctly detects the successful SRCC computations for [CuCl 4 ] 2- , [Cu(NH 3 ) 4 ] 2+ , and [Cu(H 2 O) 4 ] 2+ , which have been known to be misdiagnosed by T 1 and D 1 diagnostics in the past. This shows that the S -diagnostic is a promising candidate for an a posteriori diagnostic for SRCC calculations.

Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extracted by assuming convergence of the power series expansion of induced electric and magnetic multipole moments. However, the accuracy relative to analytical results from response theory quickly deteriorates for higher-order responses due to the presence of high-frequency oscillations in the induced multipole moment in the time domain. This problem has been ascribed to missing higher-order corrections. We here demonstrate that the deviations are caused by nonadiabatic effects arising from the finite-time ramping from zero to full strength of the external laser field. Three different approaches, two using a ramped wave and one using a pulsed wave, for extracting electrical properties from real-time time-dependent electronic-structure simulations are investigated. The standard linear ramp is compared to a quadratic ramp, which is found to yield highly accurate results for polarizabilities, and first and second hyperpolarizabilities, at roughly half the computational cost. Results for the third hyperpolarizability are presented along with a simple, computable measure of reliability., (© 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).)

Prostate needle biopsies are an essential step in the diagnostic evaluation of prostate cancer. The conventional ultrasound-guided transrectal needle biopsy entails a significant risk of infection, which with increasing antibiotic resistance is thought to increase in the future. This has sparked a renewed interest in transperineal prostate biopsies, as this approach avoids the multiple passages of the rectal mucosa, thus reducing the risk of infection significantly. This review describes the devolvement, technical aspects, and current recommendations of transperineal biopsies.

Introduction: Direct biopsy of the prostate is used for diagnosing prostate cancer and most prostate biopsies are performed transrectally with ultrasonic guidance (TRUS-BX). The transrectal approach carries a risk of sepsis as bacteria may transfer directly into the prostate from the rectum. Approximately 6% of the patients will be hospitalised within seven days after TRUX-BX. Increasing antibiotic resistance has spurred a renewed interest in the transperineal approach (TP-BX). Aseptic TP-BX may be performed, significantly reducing the risk of infection. We described the first Danish experience with multiparametric MRI-guided freehand TP-BX., Methods: Men scheduled for TP-BX were included. Patient age, prostate-specific antigen level, previous biopsy history, weight and height were recorded. We employed a visual analogue scale (VAS) for the various procedure parts and the patients rated their satisfaction. Complications and International Society of Urological Pathology scores were recorded and cancer detection rates calculated., Results: A total of 143 men had TP-BX performed in a consecutive series. The cancer detection rate was 81.8% (95% confidence interval: 74.5-87.8%). The procedure was well tolerated with a median VAS of 2 (range: 0-7), and patients expressed a high degree of satisfaction with the procedure. One patient was hospitalised due to infection., Conclusion: TP-BX is well tolerated and feasible as an outpatient procedure performed in local anaesthesia. Transperineal biopsies have a low risk of infection., Funding: none., Trial Registration: not relevant., (Articles published in the DMJ are “open access”. This means that the articles are distributed under the terms of the Creative Commons Attribution Non-commercial License, which permits any non-commercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited.)

Laser-induced molecular alignment is well understood within the framework of the Born-Oppenheimer (BO) approximation. Without the BO approximation, however, the concept of molecular structure is lost, making it hard to precisely define alignment. In this work, we demonstrate the emergence of alignment from the first-ever non-BO quantum dynamics simulations, using the HD molecule exposed to ultrashort laser pulses as a few-body test case. We extract the degree of alignment from the non-BO wave function by means of an operator expressed in terms of pseudo-proton coordinates that mimics the BO-based definition of alignment. The only essential approximation, in addition to the semiclassical electric-dipole approximation for the matter-field interaction, is the choice of time-independent explicitly correlated Gaussian basis functions. We use a variational, electric-field-dependent basis-set construction procedure, which allows us to keep the basis-set dimension low while capturing the main effects of electric polarization on the nuclear and electronic degrees of freedom. The basis-set construction procedure is validated by comparing with virtually exact grid-based simulations for two one-dimensional model systems: laser-driven electron dynamics in a soft attractive Coulomb potential and nuclear rovibrational dynamics in a Morse potential.

Objective: Sacral neuromodulation (SNM) is a well-established treatment modality for idiopathic overactive bladder and urgency incontinence, idiopathic fecal incontinence and non-obstructive urinary retention. This study describes the start-up phase of establishing the SNM service. Primary objective: To investigate the patient-reported outcome measures of SNM on lower urinary tract dysfunction symptoms. Secondary objectives : To investigate bowel function, sexual satisfaction and to monitor SNM safety., Materials and Methods: Twenty-two patients with refractory idiopathic and neurogenic lower urinary tract dysfunction were offered a two-stage test-phase procedure and SNM device implantation. On completing the study, the patients rated their satisfaction with the treatment using a five-point Likert scale and a bother score of urinary, bowel and sexual symptoms on a scale of 1-10 (the worst). Their complications were assessed., Results: Nineteen patients (86%) were responders during the test phase and had the pulse generator implanted. Seventeen patients were very satisfied/satisfied. A statistically significant change in urinary symptoms bother score was observed in the idiopathic and neurogenic patients, a reduction from 10 to 4 ( p  = .0057) and 10 to 3 ( p  = .014), respectively. Eleven patients (58%) had symptoms from two or three pelvic compartments. Nine patients (47%) had complications. All but one event was resolved., Conclusions: SNM is safe in this heterogeneous group of patients with refractory lower urinary tract dysfunction of various etiologies. A substantial improvement was observed in the pelvic organ dysfunction, demanding a multidisciplinary approach. More studies are required to standardize the evaluation of the subjective and objective outcomes of SNM.

A quantum key distribution (QKD) system must fulfill the requirement of universal composability to ensure that any cryptographic application (using the QKD system) is also secure. Furthermore, the theoretical proof responsible for security analysis and key generation should cater to the number N of the distributed quantum states being finite in practice. Continuous-variable (CV) QKD based on coherent states, despite being a suitable candidate for integration in the telecom infrastructure, has so far been unable to demonstrate composability as existing proofs require a rather large N for successful key generation. Here we report a Gaussian-modulated coherent state CVQKD system that is able to overcome these challenges and can generate composable keys secure against collective attacks with N ≈ 2 × 10 8 coherent states. With this advance, possible due to improvements to the security proof and a fast, yet low-noise and highly stable system operation, CVQKD implementations take a significant step towards their discrete-variable counterparts in practicality, performance, and security., (© 2022. The Author(s).)

We present a derivation of real-time (RT) time-dependent orbital-optimized Møller-Plesset (TDOMP2) theory and its biorthogonal companion, time-dependent non-orthogonal OMP2 theory, starting from the time-dependent bivariational principle and a parametrization based on the exponential orbital-rotation operator formulation commonly used in the time-independent molecular electronic structure theory. We apply the TDOMP2 method to extract absorption spectra and frequency-dependent polarizabilities and first hyperpolarizabilities from RT simulations, comparing the results with those obtained from conventional time-dependent coupled-cluster singles and doubles (TDCCSD) simulations and from its second-order approximation, TDCC2. We also compare our results with those from CCSD and CC2 linear and quadratic response theories. Our results indicate that while TDOMP2 absorption spectra are of the same quality as TDCC2 spectra, including core excitations where optimized orbitals might be particularly important, frequency-dependent polarizabilities and hyperpolarizabilities from TDOMP2 simulations are significantly closer to TDCCSD results than those from TDCC2 simulations.