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• W2089236777 abstract "The concept of p-orthogonality between electronic states, which generalizes common orthogonality and strong orthogonality, provides a natural hierarchy for group function methods such as the electronic mean field configuration interaction method. In this Letter, this theoretical concept is applied in numerical calculations for the first time. The accuracy of the geminal mean field configuration interaction wave functions of simple molecular systems is studied as the orthogonality constraint between the geminals relaxes from 1-orthogonality (that is strong orthogonality) to 2-orthogonality, to no orthogonality constraint at all." @default.
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• W2089236777 date "2010-02-01" @default.
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• W2089236777 title "The electronic mean field configuration interaction method: III – the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si46.gif display=inline overflow=scroll><mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:math>-orthogonality constraint" @default.
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• W2089236777 doi "https://doi.org/10.1016/j.cplett.2010.01.033" @default.
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