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Journal of Chemical Physics, ISSN 0021-9606, 02/2007, Volume 126, Issue 8, pp. 084108 - 084108-12
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 09/2011, Volume 1, Issue 5, pp. 810 - 825
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 09/2018, Volume 122, Issue 38, pp. 7748 - 7756
We discuss two main approaches to decompose the Møller–Plesset perturbation theory molecular energies into atomic contributions within the interacting quantum... 
2-ELECTRON INTEGRATIONS | SCHEME | HALOGEN BONDS | APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ORBITALS | PARTITION | DENSITY-FUNCTIONAL THEORY | ELECTRON CORRELATION ENERGIES | COUPLED-CLUSTER | HARTREE-FOCK | Chemical Sciences
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 01/2011, Volume 134, Issue 4, pp. 044123 - 044123-13
Efficient electronic structure methods can be built around efficient tensor representations of the wavefunction. Here we first describe a general view of... 
PERTURBATION-THEORY | CONFIGURATION-INTERACTION | VIRTUAL ORBITAL SPACE | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LEVEL CORRELATED CALCULATIONS | GAUSSIAN-BASIS SETS | ELECTRON CORRELATION METHODS | CHOLESKY DECOMPOSITIONS | COUPLED-CLUSTER THEORY | NATURAL ORBITALS
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 04/2012, Volume 8, Issue 4, pp. 1255 - 1259
We assess the accuracy of eight Minnesota density functionals (M05 through M08-SO) and two others (PBE and PBE0) for the prediction of electronic excitation... 
COUPLED-CLUSTER SINGLES | DYES | APPROXIMATION | SPECTROSCOPY | KINETICS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPTICAL-PROPERTIES | CHEMISTRY, PHYSICAL | DOUBLES MODEL | ABSORPTION | SPECTRA | MAIN-GROUP THERMOCHEMISTRY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 03/2003, Volume 118, Issue 11, pp. 4807 - 4818
An extension of density functional theory to situations with significant nondynamical correlation is presented. The method is based on the spin-flip (SF)... 
MULTIDETERMINANTAL WAVE-FUNCTIONS | CLUSTER DOUBLES MODEL | P-BENZYNE | DYNAMIC ELECTRON CORRELATION | CONFIGURATION-INTERACTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | AB-INITIO CALCULATIONS | CORRELATION-ENERGY | CHEMISTRY, PHYSICAL | COUPLED-CLUSTER | HYDROGEN ABSTRACTION REACTIONS | EXCITED-STATES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 03/2010, Volume 132, Issue 11, pp. 110902 - 110902-7
Journal Article