Published August 1, 1988
| Version v1
Journal article
Coupled-electron-pair approximation calculations on open-shell molecules: The two lowest states of HeNe+
Creators
- 1. Institute of Physics, Nicholas Copernicus University, Grudziadzka 5, PL-87100 Torun, Poland
Description
Extensive ab initio calculations at coupled-electron-pair approximation and multireference configuration interaction levels have been performed for the two lowest states X 2Σ+ and A2Pi of HeNe+. Spin-orbit coupling has been included on a semiempirical basis in order to account for the strong mixing between the X 2Σ/sub 1/2/+ and A22Pi/sub 1/2/ components, which influences the properties of both these states in the experimentally observed region at large internuclear distances
Additional details
Publishing Information
- Journal Title
- Phys. Rev., A
- Journal Volume
- 38
- Journal Issue
- 3
- Series
- Phys. Rev., A.
- Journal Page Range
- 1289-1299
- ISSN
- 0556-2791
- CODEN
- PLRAA
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 19085521
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ELECTRONIC STRUCTURE; ENERGY LEVELS; HELIUM COMPOUNDS; L-S COUPLING; MOLECULAR IONS; NEON COMPOUNDS
- Descriptors DEC
- CHARGED PARTICLES; COUPLING; INTERMEDIATE COUPLING; IONS; RARE GAS COMPOUNDS