Towards a full CCSDT model for electron correlation

A full coupled-cluster singles and doubles model: The inclusion of disconnected triples

1982 • 6,084 citations

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods

1966 • 2,892 citations

Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

1981 • 2,054 citations

Many‐body perturbation theory, coupled‐pair many‐electron theory, and the importance of quadruple excitations for the correlation problem

1978 • 1,526 citations

Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory

1980 • 1,192 citations

Electron correlation theories and their application to the study of simple reaction potential surfaces

1978 • 1,027 citations

Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecule

1972 • 869 citations

A coupled cluster approach with triple excitations

1984 • 498 citations

A multi-reference coupled-cluster method for molecular applications

1984 • 243 citations

Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water

1981 • 233 citations

Full CI calculations on BH, H2O, NH3, and HF

1983 • 211 citations

A study of Be2 with many-body perturbation theory and a coupled-cluster method including triple excitations

1984 • 200 citations

Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summations

1983 • 191 citations

The vinylidene-acetylene isomerization barrier

1981 • 130 citations

A systematic study of the effect of triple substitutions on the electron correlation energy of small molecules

1980 • 107 citations

The fourth order diagrammatic MB-RSPT calculations of the correlation energy of ten electron systems

1980 • 97 citations

A b i n i t i o calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

1984 • 81 citations

Dipole polarizability of the fluoride ion with many-body methods

1984 • 80 citations

Perturbation theory of the electron correlation effects for atomic and molecular properties. VII. Complete fourth-order MBPT study of the dipole moment and dipole polarizability of H2O

1983 • 65 citations

Coupled-cluster approach in electronic structure theory of molecules

1982 • 60 citations

Effect of basis-set completeness on the relative importance of triply and quadruply excited configurations in correlation energy calculations

1980 • 48 citations

Fourth-order MB-RSPT calculations of the spectroscopic constants and potential energy curve of F2

1983 • 37 citations

Singlet-triplet energy gap in methylene using many-body methods

1985 • 37 citations

Towards Numerical Solutions of the Schrödinger Equation for Diatomic Molecules

1985 • 34 citations

Diagrammatic perturbation theory: the contribution of triply-excited states to correlation energies

1979 • 28 citations

Calculation of correlation energy by a coupled-cluster approach

1982 • 27 citations

The role of fourth-order terms in MBPT calculations of the correlation energy

1979 • 24 citations

Activation barriers of SN2 reactions: F− + CH3F and H− + CH3F. Fourth-order MB RSPT calculations

1984 • 24 citations

Correlation effects and bond-correlation energies in the series of molecules including C1 to C4 hydrocarbons. Fourth-order MB-RSPT (many-body Rayleigh-Schroedinger perturbation theory) calculations

1984 • 23 citations