Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

Self-Consistent-Field<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>Cluster Method for Polyatomic Molecules and Solids

1972 • 891 citations

Discrete Variational Method for the Energy-Band Problem with General Crystal Potentials

1970 • 845 citations

Tables of Atomic Functions

1965 • 551 citations

Electronic Band Structure and Optical Properties of Graphite from a Variational Approach

1970 • 509 citations

``Multiple-Scattering'' Model for Polyatomic Molecules

1966 • 427 citations

Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules

1973 • 403 citations

Molecular Schrödinger Equation. VIII. A New Method for the Evaluation of Multidimensional Integrals

1967 • 397 citations

Chemical Bonding of a Molecular Transition-Metal Ion in a Crystalline Environment

1972 • 305 citations

A method for numerical integration

1961 • 200 citations

A Generalized Self-Consistent Field Method

1953 • 145 citations

Self-Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to Methane

1965 • 142 citations

Some bilinear convergence characteristics of the solutions of dissymmetric secular equations

1969 • 113 citations

A quantum-mechanical study of the water molecule

1960 • 110 citations

Local-Energy Method in Electronic Energy Calculations

1960 • 108 citations

Total Energy in the Multiple Scattering Formalism: Application to the Water Molecule

1972 • 104 citations

Note on the Separability Theorem for Electron Pairs

1961 • 91 citations

Analysis of the Electronic Exchange in Atoms

1972 • 88 citations

Limited Expansion of Diatomic Overlap (LEDO): A Near-Accurate Approximate Ab Initio LCAO MO Method. I. Theory and Preliminary Investigations

1971 • 78 citations

A Theoretical study of the interaction of ethylene with transition metal complexes

1972 • 69 citations

Self-Consistent Molecular-Orbital Methods. II. Projection of Diatomic Differential Overlap (PDDO)

1969 • 50 citations

Approximate Numerical Hartree—Fock Method for Molecular Calculations

1971 • 34 citations

Use of Linear Nonsymmetric Eigenvalue Equations for a Sum-over-Points Approach: Application to H2+

1967 • 16 citations

Carlson's Sum over Points and Local Energy

1969 • 11 citations

A note on general core-valence orthogonality

1972 • 3 citations

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