Published 1994
| Version v1
Journal article
Nonadiabatic NO expansions for the ground state wave function of H2+
Description
In this article, direct calculations of nonadiabatic NO expansions for the ground-state wave function of H2+ ae given, as predicted by Bishop and Cheung. Two methods are presented, i.e., an analogon to the Ahlrichs/Driessler procedure and a gradient method, both originally developed to calculate natural orbitals for two-electron systems. 7 refs., 4 tabs
Additional details
Publishing Information
- Journal Title
- International Journal of Quantum Chemistry
- Journal Volume
- 51
- Journal Issue
- 1
- Journal Page Range
- p. 3-11.
- ISSN
- 0020-7608
- CODEN
- IJQCB2
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 28069924
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CATIONS; GROUND STATES; HYDROGEN; MATHEMATICAL MODELS; WAVE FUNCTIONS
- Descriptors DEC
- CHARGED PARTICLES; ELEMENTS; ENERGY LEVELS; FUNCTIONS; IONS; NONMETALS