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Size-consistent Brueckner theory limited to double and triple substitutions

โœ Scribed by Krishnan Raghavachari; John A. Pople; Eric S. Replogle; Martin Head-Gordon; Nicholas C. Handy

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
445 KB
Volume
167
Category
Article
ISSN
0009-2614

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Size-consistent Brueckner theory limited
Size-consistent Brueckner theory limited to double substitutions
โœ Nicholas C. Handy; John A. Pople; Martin Head-Gordon; Krishnan Raghavachari; Gar ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 666 KB

A size-consistent set of equations for electron correlation which are limited to double substitutions, based on Brueekner orbitals, is discussed. Called BD theory, it is shown that at fifth order of perturbation theory, BD incorporates more terms than CCSD and QCISD. The simplicity of the equations