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

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

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

1968 • 626 citations

Determination of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mfrac><mml:mrow><mml:mi>e</mml:mi></mml:mrow><mml:mrow><mml:mi>h</mml:mi></mml:mrow></mml:mfrac></mml:math>, Using Macroscopic Quantum Phase Coherence in Superconductors: Implications for Quantum Electrodynamics and the Fundamental Physical Constants

1969 • 612 citations

THE LYMAN BANDS OF MOLECULAR HYDROGEN

1959 • 315 citations

Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants

1970 • 218 citations

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1970 • 205 citations

Floating Spherical Gaussian Orbital Model of Molecular Structure. II. One- and Two-Electron-Pair Systems

1967 • 108 citations

Atomic Units

1959 • 85 citations

Toward Understanding Vibrations of Polyatomic Molecules

1968 • 80 citations

Comparison of Experimentally Derived and Theoretically Calculated Derivatives of the Energy, Kinetic Energy, and Potential Energy for CO

1966 • 80 citations

Minimum Basis Wavefunctions for Water

1970 • 72 citations

Ab Initio Calculation of Harmonic Force Constants

1966 • 65 citations

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

1968 • 35 citations

Ab Initio Calculations of Harmonic Force Constants. III. An Exact Calculation of the H2+ Force Constant

1970 • 28 citations

Sum Rule for Molecular Frequencies

1967 • 27 citations

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

1969 • 24 citations

Simple Bond-Charge Model for Symmetric Stretching Vibrations of XYn Molecules

1969 • 24 citations

Force Constants in Hartree–Fock Theory

1970 • 21 citations

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

1970 • 20 citations

Ab-initio calculations of small hydrides including electron correlation

1970 • 15 citations

Calculation of Molecular Force Constants

1968 • 14 citations

Electronic Bases of Molecular Vibrations. II. Generalized Energy Theorems and the Force Constants of Polyatomic Molecules

1966 • 12 citations

A comparative study of Ellipsoidal gaussians: H2+

1970 • 11 citations

Application of virial scaling to calculation of diatomic forces and force constants

1969 • 7 citations