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Please use this identifier to cite or link to this item: http://hdl.handle.net/10258/935

タイトル: Zero potential energy criterion for approximate wave functions
著者: Koga, Toshikatsu
キーワード: WAVE FUNCTIONS
POTENTIAL ENERGY
HYDROGEN IONS 1 PLUS
MOLECULAR IONS
ELECTRONIC STRUCTURE
Issue Date: 15-Dec-1985
出版者: American Institute of Physics
引用: Journal of Chemical Physics, 83(12), pp.6301-6303,1985
タイプ: Journal Article
抄録: A zero potential energy expression, which is a possible partner to the zero momentum energy expression presented previously, is proposed and discussed as a criterion for assessing the accuracy of approximate wave functions. Applicability of these criteria is illustrated and compared for several approximate wave functions for the 1sσ_g and 2pσ_u states of the {H^+}_{2} molecule.
URI: http://hdl.handle.net/10258/935
Rights: Copyright 1985 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Chem. Phys. 83, 6301 (1985) and may be found at http://link.aip.org/link/?jcp/83/6301
DOI: 10.1063/1.449580
Appears in Collections:01 学術雑誌論文(Journal Article)

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