Nonorthogonal configuration interaction study of the ground state of BeH2

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

Methods in Computational Physics

1964 • 2,231 citations

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

1966 • 1,906 citations

Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap

1965 • 1,074 citations

Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

1968 • 626 citations

Generation and Use of Orthogonal Polynomials for Data-Fitting with a Digital Computer

1957 • 448 citations

Configuration Interaction in Simple Atomic Systems

1961 • 438 citations

Studies in Configuration Interaction: The First-Row Diatomic Hydrides

1969 • 395 citations

A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. II. The Two-Center Exchange Integrals

1951 • 272 citations

Nitrosonium Nitrate. Isolation at 79°—205°K and Infrared Spectra of the Polymorphic Compound

1965 • 233 citations

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1970 • 205 citations

Atomic Bethe-Goldstone Equations. I. The Be Atom

1967 • 200 citations

Multicenter Integrals in Molecular Quantum Mechanics

1962 • 117 citations

Geometry of Molecules. I. Wavefunctions for Some Six- and Eight-Electron Polyhydrides

1966 • 116 citations

On the Calculation of Multicenter Two-Electron Repulsion Integrals Involving Slater Functions

1964 • 113 citations

A Floating spherical Gaussian orbital model of molecular structure. III. First-row atom hydrides

1968 • 109 citations

Ab initio calculations on small hydrides including electron correlation

1970 • 105 citations

Extended Hückel Theory and the Shape of Molecules

1967 • 100 citations

Convergence studies in configuration interaction calculations

1968 • 83 citations

Ab initio calculations on small hydrides including electron correlation

1968 • 74 citations

Ab Initio Calculation of Harmonic Force Constants

1966 • 65 citations

Theoretical Study of the BeH Molecule

1968 • 61 citations

A configuration interaction study of the four lowest ¹∑⁺ states of the LiH molecule

1968 • 56 citations

Ab initio calculations on small hydrides including Electron correlation

1970 • 40 citations

LCAO–MO–SCF Calculations Using Gaussian Basis Functions. II. BeH2

1968 • 35 citations

Configuration-Interaction Study of the H3− System. II. Expanded Basis

1968 • 32 citations

Method of Diatomics in Molecules. VI. BeH2

1968 • 31 citations

Dissociation of Polyatomic Molecules and the Relation of Ensuing Geometrical Change to the Force Constants

1969 • 29 citations

Ab Initio Calculation of Harmonic Force Constants. II. Application to Gaussian Wavefunctions for H2+

1969 • 24 citations

Valence-Bond Studies of AH2 Molecules. I. BeH2

1971 • 24 citations

Quantum Mechanics of Beryllium Hydride

1933 • 20 citations

Ab Initio Calculations of Harmonic Force Constants. IV. Comparison of Different Methods

1970 • 20 citations

Open-shell valence configuration-interaction studies of diatomic and polyatomic molecules

2009 • 19 citations

Die Walsh’sche Regel im Rahmen der MO-LCAO-Näherung I (AH₂-Moleküle)

1961 • 12 citations

Valence-only correlation in LiH and BeH+

1968 • 11 citations

Confirmation of the predicted Hartree-Fock limit in BeH2

1967 • 9 citations

Estimate of the total energy of the beryllium hydride molecule

1967 • 9 citations

Valence-bond calculations on the ground state of BeH2

1970 • 7 citations

Dependence of Correlation Energy upon Bond Angle: Investigation of Interactions between Nearly Degenerate Electronic Configurations

1967 • 7 citations

Pyrolysis and Combustion of Metal Hydrides—Analysis by Kinetic Spectroscopy

1968 • 4 citations

Role of atomic valence state energies in the determination of shapes of hydride molecules

1962 • 3 citations

A new method for the calculation of vibrational force constants. Application to H2

1971 • 2 citations