Unlinked cluster effects in molecular electronic structure. II. Pair correlations in the molecules HCN and HNC

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

Configuration interaction calculations on the nitrogen molecule

1974 • 2,810 citations

Derivation of the Brueckner many-body theory

1957 • 1,242 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Size consistency in the dilute helium gas electronic structure

1977 • 596 citations

Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron Correlations

1962 • 523 citations

The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules

1953 • 434 citations

Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations

1970 • 377 citations

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed-shell states

1975 • 309 citations

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom

1975 • 277 citations

Electron correlation in small molecules

1976 • 181 citations

The anharmonic force field and equilibrium structure of HCN and HCP

1973 • 180 citations

Multiple substitution effects in configuration interaction calculations

1978 • 176 citations

Nature of the Configuration-Interaction Method inAb InitioCalculations. I. Ne Ground State

1970 • 165 citations

Three approaches to electron correlation in atoms

1970 • 121 citations

The microwave spectrum of HNC: identification of U90.7

1976 • 120 citations

Some aspects of diagrammatic perturbation theory

2009 • 115 citations

The coupled-pair approximation in a basis of independent-pair natural orbitals

1976 • 103 citations

Infrared Spectroscopic Evidence for the Species HNC

1963 • 91 citations

PNO–CI (pair-natural-orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. IV. The molecules N2, F2, C2H2, C2H4, and C2H6

1975 • 85 citations

Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC molecules

1978 • 79 citations

Ab initio calculations on small hydrides including electron correlation

1968 • 74 citations

Symmetry-Adapted Pair Correlations in Ne,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mo>−</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Ne</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>, …

1971 • 70 citations

The microwave spectrum of hydrogen isocyanide

1976 • 68 citations

Diagrammatic perturbation theory: Many-body effects in the X1Σ+ states of first-row and second-row diatomic hydrides

1977 • 67 citations

A b i n i t i o force constants for the HCN molecule: SCF and CI results

1975 • 67 citations

The direct configuration interaction method with a contracted configuration expansion

1977 • 55 citations

Detection of the Millimeter Wave Spectrum of Hydrogen Isocyanide, HNC^1,2

1976 • 54 citations

Infrared emission from gaseous HNC

1975 • 37 citations

Ionization potentials of HCN and HNC by a Green's function method

1976 • 35 citations

Correlations between tetrahedrally localized orbitals

1968 • 20 citations

The calculation of ionisation potentials by perturbation theory coupled with configuration interaction

1977 • 17 citations

In–out decomposition for inelastic collisions as subdynamics. III. Perturbation theory and the semiclassical limit

1975 • 6 citations

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