TITLE

Exchange energy of H[sub 2] calculated by the surface integral method with the Coulson--Fish wave

AUTHOR(S)
Johann, Ch.; Tang, K. T.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/1/1997, Vol. 106 Issue 9, p3823
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Determines the exchange energy from ab initio electronic structure calculations. Surface integral method; Expression of two electron exchange energy as a surface integral of the flux of a localized wave function; Coulson-Fischer wave function.
ACCESSION #
4149032

 

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