Test environment running 7.6.6

Cultural advice

The Australian National University acknowledges, celebrates and pays our respects to the Ngunnawal and Ngambri people of the Canberra region and to all First Nations Australians on whose traditional lands we meet and work, and whose cultures are among the oldest continuing cultures in human history.

Aboriginal and Torres Strait Islander peoples are advised that ANU Library collections may include images, names, voices, and other representations of deceased persons.

Material in the collection may contain terms, language or views that reflect the period in which the item was created and may be considered inappropriate today.

Approximate wave functions for excited states

Thumbnail Image

Date

1968

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

The problem of calculating approximate wave functions for an excited state, which is not the lowest of a symmetry species, has been investigated for the first excited σ-state of the HeH2+ ion. The results of calculations using explicitly orthogonalized variational trial functions are compared with results based on the linear combination of molecular Orbitals (LCMO) procedure, and with the exact values. Our values of the electronic energy and of the dipole moment are in good agreement with the exact values.

Description

Keywords

Citation

URI

https://dspace-test.anu.edu.au/handle/1885/733744018

Collections

DevOps Pure Testing

Source

Theoretica Chimica Acta

Type

Article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1007/BF00526398

Restricted until

DSpace software copyright © 2002-2026 LYRASIS