Back to search

Coupled multiconfiguration self-consistent field (MC SCF) perturbation theory

Data up to Jan 2025

Published1975
Citations44
References61

Total Citations Per Year

Abstract

References (61)

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

Derivation of the Brueckner many-body theory

1957 • 1,242 citations

Quantum theory of atoms, molecules, and the solid state

1966 • 1,064 citations

Atomic polarizabilities and shielding factors

1962 • 866 citations

The polarization of laser light scattered by gases

1966 • 741 citations

Two-Body Forces and Nuclear Saturation. III. Details of the Structure of the Nucleus

1955 • 601 citations

Polarizability of the Hydrogen Molecule

1967 • 504 citations

Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule

1963 • 502 citations

Many-Body Perturbation Theory Applied to Atoms

1964 • 492 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

Self-Consistent Perturbation Theory. II. Extension to Open Shells

1968 • 420 citations

Approximations to Hartree—Fock Perturbation Theory

1966 • 357 citations

Perturbed Hartree–Fock Theory. I. Diagrammatic Double-Perturbation Analysis

1969 • 289 citations

Lamb Shift in the Helium Atom

1961 • 253 citations

Self-Consistent Perturbation Theory. I. General Formulation and Some Applications

1966 • 219 citations

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

The Method of Optimized Valence Configurations: A Reasonable Application of the Multiconfiguration Self-Consistent-Field Technique to the Quantitative Description of Chemical Bonding

1970 • 142 citations

Magnetic Susceptibility of Diatomic Molecules

1963 • 137 citations

Application of Many-Body Perturbation Theory to the Hydrogen Molecule

1970 • 122 citations

Electric Polarizability of Some Diatomic Molecules

1963 • 121 citations

New Techniques for the Computation of Multiconfiguration Self-Consistent Field (MCSCF) Wavefunctions

1972 • 116 citations

Hydrogen-Atom Polarizability as a Hartree–Fock Perturbation Expansion: A Geometric Approximation to Atomic Polarizabilities

1968 • 115 citations

The refractive index of helium

1965 • 104 citations

Hartree-Fock Equations with a Perturbing Field

1960 • 91 citations

Finite-perturbation SCF valence-shell calculations of molecular polarizability and hyperpolarizability components

1970 • 88 citations

Improvement of Uncoupled Hartree—Fock Expectation Values for Physical Properties

1966 • 87 citations

Dipole Polarizabilities of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2</mml:mn><mml:mi> </mml:mi><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>S</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow /><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>3</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><…

1966 • 85 citations

Coupled Multiconfigurational Self-Consistent-Field Method for Atomic Dipole Polarizabilities. II. Application to the First-Row Atoms, Lithium through Neon

1973 • 83 citations

Magnetic Properties of Polyatomic Molecules. II. Proton Magnetic Shielding Constants in H2O, NH3, CH4, and CH3F

1970 • 82 citations

Extended Hartree—Fock Wavefunctions: General Theory of Optimized-Valence Configurations and Its Application to Diatomic Molecules

1967 • 70 citations

Improvement of Uncoupled Hartree-Fock Expectation Values for Physical Properties. II

1967 • 70 citations

Many-Body Perturbation-Theory Calculations with Finite, Bound Basis Sets

1973 • 66 citations

What is the best expression of the second-order sum-over-state perturbation energy based on the Hartree-Fock wavefunction?

1974 • 64 citations

Upper and Lower Bounds to Atomic and Molecular Properties. II. Electric Polarizabilities of Four-Electron Atoms by a Lower-Bound Procedure

1973 • 63 citations

Perturbation theory for the self-consistent field

1941 • 61 citations

Two-configuration, self-consistent field theory

1966 • 56 citations

Coupled Multiconfigurational Self-Consistent-Field Method for Atomic Dipole Polarizabilities. I. Theory and Application to Carbon

1972 • 53 citations

Calculation of molecular one-electron properties using coupled Hartree-Fock methods

1973 • 47 citations

The geometric approximation of physical properties

1970 • 47 citations

Finite electric field SCF calculations of molecular polarizabilities: Absolute polarizabilities

1970 • 45 citations

Orbital Self-Consistent-Field Theory. I. General Theory for Multiconfigurational Wave Functions

1967 • 44 citations

On a Perturbed Hartree-Fock Study of the Magnetic Susceptibility and the 13C and 17O NMR Shielding Constants in Formaldehyde with Slater Basis Sets

1972 • 36 citations

Different Perturbed Uncoupled Hartree–Fock (PUCHF) Methods for Physical Properties. I. Theory and Dipole Polarizabilities

1971 • 32 citations

Analysis of the Karplus-Kolker approximation to Hartree-Fock perturbation theory

1971 • 25 citations

A General SCF Formalism

1969 • 23 citations

Hellmann–Feynman Theorem for Multiconfiguration Self-Consistent Field Theory and Correlation Energy

1969 • 23 citations

On the MC SCF theory of closed-shell systems

1973 • 18 citations

On the improvement of expectation values in the uncoupled SCF and HF perturbation theories

1973 • 17 citations

Semiempirical extended Hartree-Fock theory

1973 • 16 citations

On the MC SCF theory of closed-shell systems

1974 • 15 citations

Approximate variation-perturbation calculations of the second-order molecular properties

1971 • 15 citations

Finite electric field valence shell calculations of polarizability gradients and raman depolarization ratios for diatomic molecules

1972 • 15 citations

Molecules in electric fields

1974 • 14 citations

Improved uncoupled Hartree-Fock perturbation theory

1971 • 13 citations

Recent applications of the multiconfiguration self-consistent field method to polarizabilities, excited states, van der waals forces, and triatomic surfaces

2009 • 12 citations

Corrections to the Karplus-Kolker variation-perturbation scheme

1971 • 12 citations

Exact derivation of the single-excitation model in the Hartree-Fock perturbation theory

1972 • 12 citations

Geometric double-perturbation expansion of the coupled Hartree-Fock second-order energy

1974 • 12 citations

Variational Methods and Degenerate Perturbation Theory

1966 • 9 citations

Cited By (0)

Loading...