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Nonlinearity, ISSN 0951-7715, 09/2014, Volume 27, Issue 9, pp. 1999 - 2033
.... The classical results of density functional perturbation theory in the non-degenerate case (that is when the Fermi level is not a degenerate eigenvalue of the mean-field Hamiltonian... 
perturbation theory | quantum chemistry | density functional theory | SPECTRAL DECOMPOSITION | MATHEMATICS, APPLIED | QUANTUM-CHEMISTRY | EQUATIONS | ATOMS | PHYSICS, MATHEMATICAL | Perturbation theory | Occupation | Fermi level | Perturbation methods | Fermi surfaces | Eigenvalues | Mathematical models | Density | Mathematical Physics | Mathematics
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2008, Volume 129, Issue 18, p. 184105
We have formulated and implemented the multireference Mukherjee's coupled cluster method with connected singles, doubles, and perturbative triples [MR... 
BRILLOUIN-WIGNER | CYCLOBUTADIENE | CONFIGURATION-INTERACTION | MOLECULE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SIZE-EXTENSIVITY CORRECTION | EXCITED-STATES | coupled cluster calculations | perturbation theory | excited states | SINGLET-TRIPLET SEPARATION | organic compounds | HILBERT-SPACE | oxygen | EQUATION | SCHRODINGER PERTURBATION-THEORY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2008, Volume 129, Issue 17, pp. 174101 - 174101-15
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 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 | PERTURBATION-THEORY | EXCITED ELECTRONIC STATES | BRILLOUIN-WIGNER | DOUBLES METHOD | SINGLE-REFERENCE | POTENTIAL-ENERGY SURFACES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NONDYNAMIC CORRELATION | ORBITAL CHOICE | OPEN-SHELL
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 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
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 07/2008, Volume 129, Issue 2
In view of the initial success of the complete active space (CAS) based size-extensive state-specific multireference perturbation theory (SS-MRPT) [J. Phys. Chem. A 103, 1822 (1999... 
MOLLER-PLESSET | BRILLOUIN-WIGNER | WAVE-FUNCTIONS | POTENTIAL-ENERGY SURFACES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BENCHMARK CALCULATIONS | FULL CONFIGURATION-INTERACTION | BOND-BREAKING | COUPLED-CLUSTER THEORY | DOUBLE-ZETA BASIS | ELECTRONIC-STRUCTURE
Journal Article
Journal of Physics A: Mathematical and Theoretical, ISSN 1751-8113, 07/2017, Volume 50, Issue 31, p. 315202
A theory of quasi-neutral equilibrium states of charges above a liquid dielectric surface is developed. This theory is based on the first principles of quantum... 
helium film | phase transition | perturbation theory | surface electrons | variation principle | INSTABILITY | PHYSICS, MULTIDISCIPLINARY | PHASE-TRANSITIONS | STABILITY | HELIUM SURFACE | PHYSICS, MATHEMATICAL | WIGNER CRYSTAL | 2-DIMENSIONAL ELECTRON-SYSTEM
Journal Article