Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular systems

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

The Theory of Groups and Quantum Mechanics

1931 • 2,841 citations

Electron interaction in unsaturated hydrocarbons

1953 • 2,020 citations

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

1953 • 1,947 citations

On a Hilbert space of analytic functions and an associated integral transform part I

1961 • 1,846 citations

The Classical Groups

1947 • 1,714 citations

Methods of Molecular Quantum Mechanics

1971 • 1,655 citations

Group Theory and its Applications

1971 • 663 citations

On the Representations of the Semisimple Lie Groups. II

1963 • 440 citations

Studies in Configuration Interaction: The First-Row Diatomic Hydrides

1969 • 395 citations

Table of molecular integrals

1955 • 373 citations

The Calculation of Matrix Elements for Lewis Electronic Structures of Molecules

1933 • 330 citations

Group Theory and the Many Body Problem

1968 • 291 citations

Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

1969 • 284 citations

Recent Progress Toward a Theory of Tensor Operators in the Unitary Groups

1970 • 243 citations

The iterative calculation of several of the lowest or highest eigenvalues and corresponding eigenvectors of very large symmetric matrices

1973 • 199 citations

Mathematical Aspects of the Quantum Theory of Fields

1954 • 185 citations

Algorithm for Diagonalization of Large Matrices

1965 • 178 citations

Extension of the Dirac Vector Model to Include Several Configurations

1934 • 170 citations

On the Representations of the Semisimple Lie Groups. I. The Explicit Construction of Invariants for the Unimodular Unitary Group in N Dimensions

1963 • 169 citations

Operators that Lower or Raise the Irreducible Vector Spaces of U n−1 Contained in an Irreducible Vector Space of Un

1965 • 168 citations

Bases for the Irreducible Representations of the Unitary Groups and Some Applications

1963 • 166 citations

Ab initio configuration interaction studies of the π-electron states of benzene

1974 • 163 citations

Spin-Free Quantum Chemistry

1964 • 161 citations

Group theory and second quantization for nonorthogonal orbitals

1971 • 159 citations

Ab Initio Calculations on 62 Low-Lying States of the O2 Molecule

1968 • 142 citations

Complete sets of commuting operators and O (3) scalars in the enveloping algebra of SU (3)

1974 • 139 citations

Studies in Configuration Interaction. I. Matrix Elements between Spin-Coupled Functions

1966 • 134 citations

Electronic Wave Functions for Atoms. I. Ground State of Be

1968 • 130 citations

Molecular Orbital Studies of Diatomic Molecules. I. Method of Computation for Single Configurations of Heteronuclear Systems

1960 • 129 citations

A numerical approach to nuclear shell-model calculations

1972 • 118 citations

Canonical Definition of Wigner Coefficients in Un

1967 • 116 citations

The Solution of Problems Involving Permutation Degeneracy

1934 • 111 citations

On the Representations of the Semisimple Lie Groups. III. The Explicit Conjugation Operation for SUn

1964 • 111 citations

Combined SCF and CI Calculations for the Low-Lying Rydberg and Valence Excited States of Ethylene

1971 • 110 citations

Low-lying .pi.-electron states of trans-butadiene

1973 • 94 citations

Alternative Basis for the Theory of Complex Spectra

1973 • 90 citations

Convergence studies in configuration interaction calculations

1968 • 83 citations

Application of Orthogonal and Unitary Group Methods to the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>-Body Problem

1972 • 80 citations

Open-Shell Orthogonal Molecular Orbital Theory

1967 • 78 citations

Molecular Orbital Theory

1967 • 72 citations

Multiconfiguration wavefuntions for the lowest (ππ*) excited states of ethylene

1972 • 72 citations

Modification of Nesbet's algorithm for the iterative evaluation of eigenvalues and eigenvectors of large matrices

1970 • 69 citations

Perturbation Methods in the Quantum Mechanics of n-Electron Systems

1951 • 66 citations

On the Representations of the Semisimple Lie Groups. V. Some Explicit Wigner Operators for SU3

1965 • 64 citations

The unitary group formulation of the N- particle problem

2009 • 57 citations

Expectation Values of Many-Fermion Spin Eigenstates

1971 • 57 citations

Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O

1970 • 50 citations

Variational buildup of nuclear shell model bases

1969 • 47 citations

Large-scale configuration interaction calculations on the π-electron states of benzene

1973 • 42 citations

Projection of Exact Spin Eigenfunctions

1969 • 37 citations

Implementing the SAAP Formalism. I. Serber-Type Spin Eigenfunctions by Direct Diagonalization

1972 • 33 citations

Shell-Model and protected Hartree-Fock calculations for 24Mg, 28Si and 32S

1972 • 28 citations

Table of Sanibel (spin projection) coefficients

1966 • 22 citations

On the projection of many‐electron spin eigenstates

1969 • 21 citations

Acceleration of the convergence in Nesbet's algorithm for eigenvalues and eigenvectors of large matrices

1972 • 15 citations

Electron g3 Configurations in LS Coupling

1972 • 15 citations

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