Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 45, pp. 24984 - 24992

Ring strain energy is a very well documented feature of neutral cycloalkanes, and influences their structural, thermochemical and reactivity properties. In...

Stoichiometry | Stability | Alkenes | N electrons | Interference | Molecular ions | Electron spin | Isomers | Covalent bonds | Organic chemistry | Cycloalkanes | Mathematical analysis | Cyclohexane | Chemical bonds | Density functional theory | Cations | Elongation | Cartesian coordinates

Stoichiometry | Stability | Alkenes | N electrons | Interference | Molecular ions | Electron spin | Isomers | Covalent bonds | Organic chemistry | Cycloalkanes | Mathematical analysis | Cyclohexane | Chemical bonds | Density functional theory | Cations | Elongation | Cartesian coordinates

Journal Article

Journal of the Physical Society of Japan, ISSN 0031-9015, 2006, Volume 75, Issue 12, pp. 123701 - 1"-"123701-4

Photoconversion from a charge density wave (CDW) state to a Mott-Hubbard (MH) state in a one-dimensional (1D) extended Peierls-Hubbard system is observed by...

photoinduced phase transition | Mott-Hubbard | coherent oscillation | charge density wave | Coherent oscillation | Charge density wave | Photoinduced phase transition | N-ELECTRONS SYSTEM | TRANSITION-METAL COMPLEXES | MIXED-VALENCE | PHYSICS, MULTIDISCIPLINARY | NONLINEAR LATTICE-RELAXATION | TRANSFER EXCITATION | 2-BAND MODEL | SOLITON

photoinduced phase transition | Mott-Hubbard | coherent oscillation | charge density wave | Coherent oscillation | Charge density wave | Photoinduced phase transition | N-ELECTRONS SYSTEM | TRANSITION-METAL COMPLEXES | MIXED-VALENCE | PHYSICS, MULTIDISCIPLINARY | NONLINEAR LATTICE-RELAXATION | TRANSFER EXCITATION | 2-BAND MODEL | SOLITON

Journal Article

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Full Text
A state-specific partially internally contracted multireference coupled cluster approach

Journal of Chemical Physics, ISSN 0021-9606, 06/2011, Volume 134, Issue 21, pp. 214116 - 214116-19

A state-specific partially internally contracted multireference coupled cluster approach is presented for general complete active spaces with arbitrary number...

SINGLE-REFERENCE FORMALISM | CONFIGURATION-INTERACTION CALCULATIONS | REDUCED DENSITY-MATRICES | N-ELECTRON SYSTEMS | QUANTUM-CHEMISTRY | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SYMMETRY-ADAPTED-CLUSTER | POTENTIAL-ENERGY CURVES | SIZE-EXTENSIVE MODIFICATION | EXCITED-STATES

SINGLE-REFERENCE FORMALISM | CONFIGURATION-INTERACTION CALCULATIONS | REDUCED DENSITY-MATRICES | N-ELECTRON SYSTEMS | QUANTUM-CHEMISTRY | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SYMMETRY-ADAPTED-CLUSTER | POTENTIAL-ENERGY CURVES | SIZE-EXTENSIVE MODIFICATION | EXCITED-STATES

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 06/2010, Volume 132, Issue 23, pp. 234107 - 234107-8

The multireference normal order theory, introduced by Kutzelnigg and Mukherjee [ J. Chem. Phys. 107 , 432 ( 1997 )] , is defined explicitly, and an algebraic...

REDUCED DENSITY-MATRICES | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | RECONSTRUCTION | TERMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LOWER-ORDER | CUMULANT EXPANSION | STATE | higher order statistics | CONTRACTED SCHRODINGER-EQUATIONS | FORMULATION

REDUCED DENSITY-MATRICES | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | RECONSTRUCTION | TERMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LOWER-ORDER | CUMULANT EXPANSION | STATE | higher order statistics | CONTRACTED SCHRODINGER-EQUATIONS | FORMULATION

Journal Article

Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2019, Volume 15, Issue 1, pp. 290 - 302

Complete active space self-consistent field (CASSCF) computations can be realized at polynomial cost via the variational optimization of the active-space...

CORRELATION-ENERGY CORRECTIONS | N-ELECTRON SYSTEMS | SELF-CONSISTENT-FIELD | SOLAR-CELLS | IRREDUCIBLE BRILLOUIN CONDITIONS | CONFIGURATION-INTERACTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SINGLET FISSION | BASIS-SETS | CONTRACTED SCHRODINGER-EQUATIONS | 2ND-ORDER PERTURBATION-THEORY | Potential energy | Density functional theory | Correlation | Polynomials | Self consistent fields | Electrons

CORRELATION-ENERGY CORRECTIONS | N-ELECTRON SYSTEMS | SELF-CONSISTENT-FIELD | SOLAR-CELLS | IRREDUCIBLE BRILLOUIN CONDITIONS | CONFIGURATION-INTERACTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SINGLET FISSION | BASIS-SETS | CONTRACTED SCHRODINGER-EQUATIONS | 2ND-ORDER PERTURBATION-THEORY | Potential energy | Density functional theory | Correlation | Polynomials | Self consistent fields | Electrons

Journal Article

Physica Scripta, ISSN 0031-8949, 02/2017, Volume 92, Issue 2, p. 23002

We present a pedagogical introduction to the in-medium similarity renormalization group (IMSRG) framework for ab initio calculations of nuclei. The IMSRG...

shell model | ab initio nuclear structure theory | nuclear many-body theory | renormalization group | configuration interaction | N-ELECTRON SYSTEMS | CALCIUM ISOTOPES | CORE POLARIZATION | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, MULTIDISCIPLINARY | MANY-BODY PROBLEM | CHARGE RADII | PERTURBATIVE ANALYSIS | FOCK SPACE | QUANTUM-CHEMISTRY | CONTRACTED SCHRODINGER-EQUATIONS

shell model | ab initio nuclear structure theory | nuclear many-body theory | renormalization group | configuration interaction | N-ELECTRON SYSTEMS | CALCIUM ISOTOPES | CORE POLARIZATION | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, MULTIDISCIPLINARY | MANY-BODY PROBLEM | CHARGE RADII | PERTURBATIVE ANALYSIS | FOCK SPACE | QUANTUM-CHEMISTRY | CONTRACTED SCHRODINGER-EQUATIONS

Journal Article

Accounts of Chemical Research, ISSN 0001-4842, 03/2006, Volume 39, Issue 3, pp. 207 - 215

For 50 years, progress toward the direct calculation of the ground-state two-electron reduced density matrix (2-RDM) was stymied from an inability to constrain...

N-ELECTRON SYSTEMS | VARIATIONAL METHOD | REPRESENTABILITY | IRREDUCIBLE BRILLOUIN CONDITIONS | RECONSTRUCTION | CONTRACTED SCHRODINGER-EQUATION | CUMULANT EXPANSION | APPROXIMATE SOLUTION | ENERGIES | CHEMISTRY, MULTIDISCIPLINARY | PROGRAMMING ALGORITHM | Schrodinger equation | Chemical properties | Quantum chemistry | Structure | Analysis | Electrons

N-ELECTRON SYSTEMS | VARIATIONAL METHOD | REPRESENTABILITY | IRREDUCIBLE BRILLOUIN CONDITIONS | RECONSTRUCTION | CONTRACTED SCHRODINGER-EQUATION | CUMULANT EXPANSION | APPROXIMATE SOLUTION | ENERGIES | CHEMISTRY, MULTIDISCIPLINARY | PROGRAMMING ALGORITHM | Schrodinger equation | Chemical properties | Quantum chemistry | Structure | Analysis | Electrons

Journal Article

Chemical Physics, ISSN 0301-0104, 06/2012, Volume 401, pp. 50 - 61

The theory of reduced density matrix cumulants is rephrased into a form consistent with standard statistical concepts, thereby baring the meaning of these...

Sodium clusters | Nitrogen dissociation | Cumulants | Multireference | Transition metal complex | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | REFERENCE STATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY, PHYSICAL | COUPLED-CLUSTER APPROACH | WAVE-FUNCTIONS | REPRESENTABILITY | EXPANSION | APPROXIMATE SOLUTION | CONTRACTED SCHRODINGER-EQUATIONS

Sodium clusters | Nitrogen dissociation | Cumulants | Multireference | Transition metal complex | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | REFERENCE STATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY, PHYSICAL | COUPLED-CLUSTER APPROACH | WAVE-FUNCTIONS | REPRESENTABILITY | EXPANSION | APPROXIMATE SOLUTION | CONTRACTED SCHRODINGER-EQUATIONS

Journal Article

Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 02/2007, Volume 75, Issue 2

A recent advance in the theory of the contracted Schrodinger equation (CSE), in which only the anti-Hermitian part of the equation is solved, permits the...

PERTURBATION-THEORY | N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | VARIATIONAL METHOD | IRREDUCIBLE BRILLOUIN CONDITIONS | MANY-BODY PROBLEM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CUMULANT EXPANSION | APPROXIMATE SOLUTION | OPTICS

PERTURBATION-THEORY | N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | VARIATIONAL METHOD | IRREDUCIBLE BRILLOUIN CONDITIONS | MANY-BODY PROBLEM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CUMULANT EXPANSION | APPROXIMATE SOLUTION | OPTICS

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 01/2013, Volume 138, Issue 2, p. 024107

Density cumulant functional theory (DCFT) is a theory that, in principle, can compute energies and properties exactly without a wavefunction. To accomplish...

N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | CANONICAL TRANSFORMATION THEORY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY | CONTRACTED SCHRODINGER-EQUATION | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY

N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | CANONICAL TRANSFORMATION THEORY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY | CONTRACTED SCHRODINGER-EQUATION | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 11/2010, Volume 133, Issue 17, pp. 174122 - 174122-5

Density cumulant functional theory [ W. Kutzelnigg , J. Chem. Phys. 125 , 171101 ( 2006 ) ] is implemented for the first time. Benchmark results are provided...

N-ELECTRON SYSTEMS | QUANTUM-CHEMISTRY | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | MATRICES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMS | CONTRACTED SCHRODINGER-EQUATIONS | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY

N-ELECTRON SYSTEMS | QUANTUM-CHEMISTRY | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | MATRICES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMS | CONTRACTED SCHRODINGER-EQUATIONS | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 08/2012, Volume 137, Issue 5, p. 054105

Density cumulant functional theory (DCFT) is one of a number of nascent electron correlation methods that are derived from reduced density matrices and...

MATRIX RENORMALIZATION-GROUP | N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | CANONICAL TRANSFORMATION THEORY | ENERGY DERIVATIVES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CONTRACTED SCHRODINGER-EQUATIONS | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY | Orbitals | Asymptotic properties | Mathematical analysis | Mathematical models | Excitation | Density | Empirical analysis | Energy of solution

MATRIX RENORMALIZATION-GROUP | N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | CANONICAL TRANSFORMATION THEORY | ENERGY DERIVATIVES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CONTRACTED SCHRODINGER-EQUATIONS | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY | Orbitals | Asymptotic properties | Mathematical analysis | Mathematical models | Excitation | Density | Empirical analysis | Energy of solution

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 11/2009, Volume 131, Issue 17, pp. 174109 - 174109-17

We propose a spin-free approach to the cumulant decomposition of reduced density matrices of singlet and spin-rotation or S U ( 2 ) invariant ensemble of...

UNITARY-GROUP APPROACH | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | CONFIGURATION-INTERACTION | quantum theory | REFERENCE STATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY, PHYSICAL | higher order statistics | spin-orbit interactions | WAVE-FUNCTIONS | coupled cluster calculations | SYMMETRIC GROUP | density functional theory | CONTRACTED SCHRODINGER-EQUATION | wave functions | COUPLED-CLUSTER THEORY

UNITARY-GROUP APPROACH | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | CONFIGURATION-INTERACTION | quantum theory | REFERENCE STATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY, PHYSICAL | higher order statistics | spin-orbit interactions | WAVE-FUNCTIONS | coupled cluster calculations | SYMMETRIC GROUP | density functional theory | CONTRACTED SCHRODINGER-EQUATION | wave functions | COUPLED-CLUSTER THEORY

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 05/2009, Volume 130, Issue 18, pp. 184112 - 184112-8

The hydrogen [1,3]-sigmatropic shift in propene is predicted by the Woodward-Hoffman rules to occur by an antarafacial pathway, yet the lack of experimental...

N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CHEMISTRY, PHYSICAL | reaction kinetics theory | REARRANGEMENTS | isomerisation | free radical reactions | REDUCED DENSITY-MATRICES | REPRESENTABILITY | electron correlations | Schrodinger equation | coupled cluster calculations | perturbation theory | density functional theory | SCF | APPROXIMATE SOLUTION | organic compounds | wave functions

N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CHEMISTRY, PHYSICAL | reaction kinetics theory | REARRANGEMENTS | isomerisation | free radical reactions | REDUCED DENSITY-MATRICES | REPRESENTABILITY | electron correlations | Schrodinger equation | coupled cluster calculations | perturbation theory | density functional theory | SCF | APPROXIMATE SOLUTION | organic compounds | wave functions

Journal Article

Molecular Physics, ISSN 0026-8976, 02/2010, Volume 108, Issue 3-4, pp. 433 - 451

The k-particle reduced density matrices γ k for a singlet state or a spin-orientation averaged ensemble are invariant under the spin rotation group SU(2), i.e....

generalised Wick theorem | elimination of spin | irreducible k-particle Brillouin conditions | density cumulants | reduced density matrices | Density cumulants | Elimination of spin | Irreducible k-particle Brillouin conditions | Reduced density matrices | Generalised Wick theorem | N-ELECTRON SYSTEMS | QUANTUM-CHEMISTRY | IRREDUCIBLE BRILLOUIN CONDITIONS | THEOREM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CONTRACTED SCHRODINGER-EQUATIONS | Formulations | Extrapolation | Orbitals | Wicks | Molecular physics | Order disorder | Density | Invariants

generalised Wick theorem | elimination of spin | irreducible k-particle Brillouin conditions | density cumulants | reduced density matrices | Density cumulants | Elimination of spin | Irreducible k-particle Brillouin conditions | Reduced density matrices | Generalised Wick theorem | N-ELECTRON SYSTEMS | QUANTUM-CHEMISTRY | IRREDUCIBLE BRILLOUIN CONDITIONS | THEOREM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CONTRACTED SCHRODINGER-EQUATIONS | Formulations | Extrapolation | Orbitals | Wicks | Molecular physics | Order disorder | Density | Invariants

Journal Article

JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN, ISSN 0037-9980, 01/2012, Volume 70, Issue 1, pp. 24 - 35

Development of organic semiconducting materials based on pi-conjugated systems for use in organic field-effect transistors (OFETs) has become an active area of...

electron mobility | MOBILITY | BUILDING-BLOCKS | SEMICONDUCTORS | PERFORMANCE | STABILITY | annelation | CHEMISTRY, ORGANIC | pi-conjugated system | OLIGOTHIOPHENES | organic electronics | OLIGOMERS | oligothiophene | structure-property relationship | electron-transporting material | n-type organic semiconductor | organic field-effect transistor | CARBONYL-BRIDGED BITHIAZOLE | THIN-FILM TRANSISTORS | POLYMERIC ELECTRONICS

electron mobility | MOBILITY | BUILDING-BLOCKS | SEMICONDUCTORS | PERFORMANCE | STABILITY | annelation | CHEMISTRY, ORGANIC | pi-conjugated system | OLIGOTHIOPHENES | organic electronics | OLIGOMERS | oligothiophene | structure-property relationship | electron-transporting material | n-type organic semiconductor | organic field-effect transistor | CARBONYL-BRIDGED BITHIAZOLE | THIN-FILM TRANSISTORS | POLYMERIC ELECTRONICS

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 2007, Volume 127, Issue 10, p. 104104

Differing perspectives on the accuracy of three-electron reduced-density-matrix (3-RDM) reconstruction in nonminimal basis sets exist in the literature. This...

N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | VARIATIONAL METHOD | REPRESENTABILITY | IRREDUCIBLE BRILLOUIN CONDITIONS | EXPANSION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CHEMISTRY | APPROXIMATE SOLUTION | Hydrofluoric Acid - chemistry | Quantum Theory | Algorithms | Lithium Compounds - chemistry | Models, Chemical | Nitrogen - chemistry | Computer Simulation | Water - chemistry | Energy Transfer | Kinetics | Electrons

N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | VARIATIONAL METHOD | REPRESENTABILITY | IRREDUCIBLE BRILLOUIN CONDITIONS | EXPANSION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CHEMISTRY | APPROXIMATE SOLUTION | Hydrofluoric Acid - chemistry | Quantum Theory | Algorithms | Lithium Compounds - chemistry | Models, Chemical | Nitrogen - chemistry | Computer Simulation | Water - chemistry | Energy Transfer | Kinetics | Electrons

Journal Article

International Journal of Quantum Chemistry, ISSN 0020-7608, 04/2010, Volume 110, Issue 5, pp. 963 - 974

In this article, we investigate discretization schemes to represent Sturmian functions for both positive and negative energies in the presence of a long range...

Sturmian function | phase shift | scattering | critical charge | Critical charge | Phase shift | Scattering | MATRIX | WAVE-FUNCTIONS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | N-ELECTRON ATOMS | SYSTEMS

Sturmian function | phase shift | scattering | critical charge | Critical charge | Phase shift | Scattering | MATRIX | WAVE-FUNCTIONS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | N-ELECTRON ATOMS | SYSTEMS

Journal Article

International Journal of Quantum Chemistry, ISSN 0020-7608, 12/2009, Volume 109, Issue 15, pp. 3858 - 3884

The history of many‐body perturbation theory (MBPT) and its impact on Quantum Chemistry is reviewed, starting with Brueckner's conjecture of a linked‐cluster...

MBPT (many‐body perturbation theory) | Fock space Hamiltonian | coupled‐cluster (CC) theory | connected diagram theorem | MBPT (many-body perturbation theory) | Fock space hamiltonian | Coupled-cluster (CC) theory | Connected diagram theorem | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MOLLER-PLESSET THEORY | COUPLED-CLUSTER APPROACH | coupled-cluster (CC) theory | MECHANICAL DENSITY-MATRIX | CONNECTED-DIAGRAM EXPANSIONS | FOCK SPACE | INCOMPLETE MODEL SPACES | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | PAIR CORRELATION ENERGIES | CONTRACTED SCHRODINGER-EQUATIONS

MBPT (many‐body perturbation theory) | Fock space Hamiltonian | coupled‐cluster (CC) theory | connected diagram theorem | MBPT (many-body perturbation theory) | Fock space hamiltonian | Coupled-cluster (CC) theory | Connected diagram theorem | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MOLLER-PLESSET THEORY | COUPLED-CLUSTER APPROACH | coupled-cluster (CC) theory | MECHANICAL DENSITY-MATRIX | CONNECTED-DIAGRAM EXPANSIONS | FOCK SPACE | INCOMPLETE MODEL SPACES | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | PAIR CORRELATION ENERGIES | CONTRACTED SCHRODINGER-EQUATIONS

Journal Article