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Journal of Chemical Physics, ISSN 0021-9606, 02/2010, Volume 132, Issue 7, pp. 074103 - 074103-13
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 8/2017, Volume 19, Issue 33, pp. 22282 - 2231
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 08/2017, Volume 19, Issue 33, pp. 22282 - 22301
The present investigation reports on the prospect of using state specific multireference perturbation theory (SSMRPT) with an improved virtual orbital complete... 
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 02/2010, Volume 132, Issue 7, pp. 074104 - 074104-10
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2006, Volume 124, Issue 17, pp. 174101 - 174101-13
The reduced multireference coupled-cluster method with singles and doubles (RMR CCSD) that employs multireference configuration interaction wave function as an... 
EXCITED ELECTRONIC STATES | MOLECULAR-SYSTEMS | ENERGY | UNIVERSAL | MANY-BODY PERTURBATION | GENERAL-MODEL-SPACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | EQUATIONS | CHEMISTRY, PHYSICAL | NONDYNAMIC CORRELATION | EXTENSION | MOMENTS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 03/2012, Volume 136, Issue 12, pp. 124102 - 124102-12
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2008, Volume 128, Issue 22, pp. 224106 - 224106-9
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2006, Volume 124, Issue 14, pp. 144112 - 144112-7
We developed and implemented the state-specific Brillouin-Wigner coupled cluster method with singles, doubles, and noniterative perturbative triples, called MR... 
FULL CCSDT MODEL | EXCITATION-ENERGIES | CONFIGURATION-INTERACTION | SINGLE-REFERENCE | GENERAL-MODEL-SPACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SIZE-EXTENSIVITY CORRECTION | MOLECULAR ELECTRONIC-STRUCTURE | STATE-UNIVERSAL | SHELL HARTREE-FOCK | EXCITED-STATES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2008, Volume 128, Issue 14, pp. 144118 - 144118-11
We describe a fully size-extensive alternative of the reduced multireference (RMR) coupled-cluster (CC) method with singles (S) and doubles (D) that generates... 
SINGLE-REFERENCE FORMALISM | EXTERNALLY CORRECTED SINGLES | BRILLOUIN-WIGNER | CONFIGURATION-INTERACTION | MANY-BODY PERTURBATION | GENERAL-MODEL-SPACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPEN-SHELL SYSTEMS | CHEMISTRY, PHYSICAL | STATE-UNIVERSAL | ELECTRONIC-STRUCTURE | TRIPLE EXCITATIONS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2010, Volume 133, Issue 23, pp. 234106 - 234106-9
An implementation of the coupled cluster (CC) singles, doubles, and a hybrid treatment of connected triples [denoted as CCSD(T)-h], based on the unrestricted... 
SINGLE-REFERENCE FORMALISM | BODY PERTURBATION-THEORY | CONVERGENCE ACCELERATION | MOLECULAR-SYSTEMS | GENERAL-MODEL-SPACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | POTENTIAL-ENERGY CURVES | ELECTRON CORRELATION THEORIES | STATE-UNIVERSAL | FULL CONFIGURATION-INTERACTION | VIBRATIONAL-SPECTRUM
Journal Article