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

  • 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
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