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Medium effects of the lowest rydberg transitions of saturated amines
- Source :
- Journal of Molecular Structure. 114:191-194
- Publication Year :
- 1984
- Publisher :
- Elsevier BV, 1984.
-
Abstract
- For the purpose of modelling medium effects on the lowest Rydberg transitions of amines, ab initio calculations on excited clusters of ammonia and helium were performed. As the excited state surface is strongly repulsive, shifts of the transitions to higher energies are reproduced. As charge is accumulated around the perturber atom, the spatial charge distribution is considerably altered. The diffuse character of the Rydberg orbitals is not principally changed after clustering.
- Subjects :
- Chemistry
Organic Chemistry
chemistry.chemical_element
Charge density
Analytical Chemistry
Inorganic Chemistry
symbols.namesake
Atomic orbital
Ab initio quantum chemistry methods
Excited state
Atom
symbols
Rydberg formula
Rydberg matter
Physics::Atomic Physics
Physics::Chemical Physics
Atomic physics
Spectroscopy
Helium
Subjects
Details
- ISSN :
- 00222860
- Volume :
- 114
- Database :
- OpenAIRE
- Journal :
- Journal of Molecular Structure
- Accession number :
- edsair.doi...........d7d5fb3e27108748becc335117b713a9
- Full Text :
- https://doi.org/10.1016/0022-2860(84)87126-4