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The Journal of chemical physics, ISSN 1089-7690, 2016, Volume 144, Issue 5, p. 054106
...THE JOURNAL OF CHEMICAL PHYSICS 144, 054106 (2016) Self-consistent second-order Green’s function perturbation theory for periodic systems Alexander A. Rusakov... 
DENSITY | MAXIMUM-ENTROPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION-ENERGY | CHEMISTRY | CHEMISTRY, PHYSICAL | MOLLER-PLESSET THEORY | SIMULATIONS | FORMULATION | CHALLENGES | COUPLED-CLUSTER THEORY | ELECTRON CORRELATION | Perturbation theory | Temperature dependence | Occupation | Orbitals | Iterative methods
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2013, Volume 139, Issue 24, p. 244109
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 2019, Volume 150, Issue 13, p. 134111
...The Journal of Chemical Physics ARTICLE scitation.org/journal/jcp Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies... 
SPACE | NEON | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BASIS-SETS | DIVERGENCE | PLESSET | Perturbation theory | Properties (attributes) | Singularities | Perturbation methods | Clusters | Excitation | Convergence
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 2011, Volume 135, Issue 8, pp. 081106 - 081106-4
The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [ J. Chem. Phys. 134 , 214113 ( 2011... 
CONFIGURATION-INTERACTION CALCULATIONS | REFERENCE WAVE-FUNCTIONS | GENERALIZED MOLLER-PLESSET | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | BASIS-SETS | CONICAL INTERSECTIONS | OPEN-SHELL | MS-CASPT2 | EXCITED-STATES | SINGLET
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 05/2016, Volume 144, Issue 20, p. 204112
... Møller-Plesset perturbation theory method (DEC-RIMP2) [P. Baudin et al., J. Chem. Phys. 144, 054102 (2016)] with an explicitly correlated... 
AUXILIARY BASIS-SETS | WAVE-FUNCTIONS | ENERGY | ERROR CONTROL | GROUND-STATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION CUSP | CHEMISTRY, PHYSICAL | SCALING COUPLED-CLUSTER | LOCAL TREATMENT | ELECTRON CORRELATION METHODS | LARGE MOLECULAR-SYSTEMS | Perturbation theory | Correlation | Error correction
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 10/2018, Volume 14, Issue 10, pp. 5105 - 5117
Methods of the explicitly correlated F12 approach are applied to the problem of calculating the uncoupled second-order dispersion energy in symmetry-adapted perturbation theory... 
MOLLER-PLESSET | WAVE-FUNCTIONS | ACCURATE | MOLECULAR CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION CUSP | CHEMISTRY, PHYSICAL | ELECTRONIC-STRUCTURE CALCULATIONS | DENSITY-FUNCTIONAL THEORY | GAUSSIAN-BASIS SETS | INTERMOLECULAR INTERACTIONS | HELIUM | Perturbation theory | Mathematical analysis | Correlation coefficients | Dispersion | Symmetry
Journal Article
The Journal of chemical physics, ISSN 0021-9606, 2004, Volume 121, Issue 1, pp. 117 - 129
A rational generator, which fulfills the cusp conditions for singlet and triplet electron pairs, is proposed and applied to explicitly correlated second order Moller-Plesset perturbation theory calculations... 
WAVE-FUNCTIONS | MONTE-CARLO CALCULATION | MOLLER-PLESSET METHODS | TRANSCORRELATED METHOD | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION CUSP | ELECTRONIC CORRELATION | MOLECULAR INTEGRALS | CORRELATION ENERGIES | BASIS-SET CONVERGENCE | CARTESIAN GAUSSIAN FUNCTIONS
Journal Article
Chinese Journal of Chemical Physics, ISSN 1674-0068, 10/2019, Volume 32, Issue 5, pp. 597 - 602
Divergences of the single reference perturbation theories due to the addition of diffusion basis functions have been investigated for both closed-shell and open-shell molecular systems... 
Diffuse function | STATES | Divergence | 2ND-ORDER | SERIES | BEHAVIOR | MAXIMUM RADIUS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FEENBERG | MOLLER-PLESSET THEORY | Feenberg transformation | Spin multiplicity | Single reference perturation theory | CONSTRUCTION
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 2003, Volume 119, Issue 10, pp. 5044 - 5057
The theory for computing analytical energy gradients for second-order multireference perturbation theory (MRPT2... 
CONFIGURATION-INTERACTION CALCULATIONS | REFERENCE WAVE-FUNCTIONS | ELECTRONIC EXCITATION | PYRROLE | GENERALIZED MOLLER-PLESSET | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | BASIS-SETS | OPEN-SHELL | SPECTRA | FIELD REFERENCE FUNCTION | EXCITED-STATES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 02/2006, Volume 124, Issue 5, pp. 054114 - 054114-12
Three major obstacles in electronic structure theory are the steep scalings of computer time with respect to system size and basis size and the slow... 
TRIPLES CORRECTION T | AUXILIARY BASIS-SETS | CONSISTENT BASIS-SETS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ANALYTICAL ENERGY GRADIENTS | MOLLER-PLESSET THEORY | DUAL BASIS-SETS | GAUSSIAN-BASIS SETS | ELECTRON CORRELATION METHODS | ORBITAL-INVARIANT FORMULATION | COUPLED-CLUSTER THEORY
Journal Article