Published March 1973
| Version v1
Journal article
Variational approximations to the 2p sigma sub(u) and 2pπ sub(u) wavefunctions of the hydrogen molecule ion
Creators
- 1. Comision Nacional de Energia Atomica, San Carlos de Bariloche (Argentina). Centro Atomico Bariloche
Description
It is shown that trial wavefunctions for the 2p sigma u and 2p pi u states of H2+ with three variational parameters, separable in elliptic coordinates give excellent results for the energy eigenvalues as functions of the internuclear coordinate. It is also seen that there are two minima for the energy as a function of the parameters. Earlier results for the same trial function used for the 2p sigma u state in error because the optimization has not always been carried out for the absolute minimum.
Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics B: Atomic and Molecular Physics
- Journal Volume
- 6
- Journal Issue
- 3
- Series
- J. Phys., B (London).
- Journal Page Range
- 511-513
- ISSN
- 0022-3700
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 4064767
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- COORDINATES; EIGENVALUES; ENERGY SPECTRA; EXCITED STATES; HYDROGEN IONS; MOLECULES; NUCLEAR PROPERTIES; OPTIMIZATION; VARIATIONAL METHODS; WAVE FUNCTIONS
- Descriptors DEC
- CHARGED PARTICLES; ENERGY LEVELS; FUNCTIONS; IONS; SPECTRA
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent