Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory

Čársky, Petr; Hrouda, Vojtěch; Sychrovský, Vladimír; Hubač, Ivan; Babinec, Peter; Mach, Pavol; Urban, Ján; Mášik, Jozef

doi:10.1135/cccc19951419

CCCC > Archive > 1995, Volume 60 > Issue 9 > p. 1419

Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory

Petr Čársky^a, Vojtěch Hrouda^a, Vladimír Sychrovský^a, Ivan Hubač^b, Peter Babinec^b, Pavol Mach^b, Ján Urban^b and Jozef Mášik^b

^a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic
^b Division of Chemical Physics, Comenius University, 842 15 Bratislava, Slovak Republic

Abstract

Brillouin-Wigner perturbation theory is revisited using the Lippmann-Schwinger equation and applied to the H₂O molecule. The results obtained are examined from the view-point of the development of practical computational methods.

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Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory

Abstract