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brillouin-wigner (50) 50
physics, atomic, molecular & chemical (48) 48
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perturbation-theory (19) 19
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molecular applications (12) 12
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environmental molecular sciences laboratory (4) 4
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brillouin–wigner perturbation theory (2) 2
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Journal of Chemical Physics, ISSN 0021-9606, 03/2011, Volume 134, Issue 11, pp. 114102 - 114102-15
We have formulated and implemented an internally contracted multireference coupled cluster (ic-MRCC) approach aimed at solving two of the problems encountered... 
PERTURBATION-THEORY | BRILLOUIN-WIGNER | SINGLE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IMPLEMENTATION | CHEMISTRY, PHYSICAL | STATE | SIZE-EXTENSIVE MODIFICATION | FULL CONFIGURATION-INTERACTION | OPEN-SHELL | EQUATION | ELECTRON CORRELATION
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2006, Volume 125, Issue 15, pp. 154113 - 154113-16
For the first time high-order excitations ( n > 2 ) have been studied in three multireference couple cluster (MRCC) theories built on the wave operator... 
CONFIGURATION-INTERACTION METHOD | EXCITED ELECTRONIC STATES | BRILLOUIN-WIGNER | POTENTIAL-ENERGY SURFACES | QUASI-DEGENERATE STATES | N-2 TRIPLE BOND | MOLECULAR APPLICATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | BODY PERTURBATION THEORIES | SINGLE-ROOT APPROACH | OPEN-SHELL
Journal Article
Molecular Physics, ISSN 0026-8976, 11/2010, Volume 108, Issue 21-23, pp. 3043 - 3054
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2010, Volume 132, Issue 7, p. 074107
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2011, Volume 134, Issue 22, pp. 224102 - 224102-13
We report a general implementation of alternative formulations of single-reference coupled cluster theory (extended, unitary, and variational) with... 
BODY PERTURBATION-THEORY | BRILLOUIN-WIGNER | QUANTUM-CHEMISTRY | CONFIGURATION-INTERACTION | DOUBLES METHOD | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | STATE-UNIVERSAL | OPEN-SHELL | REFERENCE FORMALISM | ELECTRONIC-STRUCTURE THEORY | MOLECULAR-PROPERTIES
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 07/2018, Volume 149, Issue 3, p. 030901
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2011, Volume 134, Issue 15, pp. 154106 - 154106-11
A new version of the multireference Mukherjee's coupled cluster method with perturbative triexcitations has been formulated, which is based on the uncoupled... 
LOW-LYING TRIPLET | BRILLOUIN-WIGNER | WAVE-FUNCTION | GROUND-STATE | CONFIGURATION-INTERACTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SINGLET-TRIPLET SEPARATION | CHEMISTRY, PHYSICAL | SIZE-EXTENSIVITY CORRECTION | DOUBLE-EXCITATION MODEL | HILBERT-SPACE | SCHRODINGER PERTURBATION-THEORY
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2015, Volume 11, Issue 7, pp. 3104 - 3114
This paper reports the development of a local variant ofMukherjee's state-specific multireference coupled cluster method based on the pair natural orbital... 
PNO-CI | PERTURBATION-THEORY | BRILLOUIN-WIGNER | CONTINUOUS TRANSITION | MOLECULAR-SYSTEMS | CONFIGURATION-INTERACTION | AB-INITIO | SIZE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CEPA | ELECTRON CORRELATION METHODS
Journal Article