TITLE

Pseudospectral double excitation configuration interaction

AUTHOR(S)
Martinez, Todd J.; Carter, Emily A.
PUB. DATE
May 1993
SOURCE
Journal of Chemical Physics;5/1/1993, Vol. 98 Issue 9, p7081
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We present a pseudospectral formulation of the single reference, closed shell double excitation configuration interaction method using a generator state self-consistent electron pair approach. The method scales as O(n2N3), compared to the conventional scaling of O(n2N4+n3N3). In no case tested does the pseudospectral energy differ by more than 0.35 mhartree from the conventional result.
ACCESSION #
7618682

 

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