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Author Blanke, G. ♦ Kleindienst, H.
Sponsorship USDOE
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword PHYSICS ♦ HYDROGEN ♦ WAVE FUNCTIONS ♦ MATHEMATICAL MODELS ♦ CATIONS ♦ GROUND STATES
Abstract In this article, direct calculations of nonadiabatic NO expansions for the ground-state wave function of H{sub 2}{sup +} 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.
ISSN 00207608
Educational Use Research
Learning Resource Type Article
Publisher Date 1994-12-31
Publisher Place United States
Journal International Journal of Quantum Chemistry
Volume Number 51
Issue Number 1


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