Brillouin's theorem and the Hellmann-Feynman theorem for Hartree-Fock wave functions

Forces in Molecules

1939 • 3,570 citations

Einführung in die Quantenchemie

2015 • 548 citations

Studies in Molecular Structure. II. LCAO-MO-SCF Wave Functions for Selected First-Row Diatomic Molecules

1960 • 399 citations

Binding Regions in Diatomic Molecules

1951 • 285 citations

Analysis of Charge Distributions: Hydrogen Fluoride

1964 • 141 citations

Theoretical Interpretation of Force Constants

1963 • 141 citations

Approximate Hartree-Fock Calculations for the Hydrogen Fluoride Molecule

1962 • 128 citations

Hartree-Fock and Correlation Energies for 1s2s³S and¹S States of Helium-like Ions

1962 • 114 citations

The electrostatic calculation of molecular energies - I. Methods of calculating molecular energies

1954 • 111 citations

Hellmann-Feynman Theorem and Correlation Energies

1962 • 110 citations

Static Jahn-Teller distortions in the small molecules: CH ⁺ ₄ , CF ^+< > ₄ , NH ⁺ ₃ (excited state) and NH ₃ (excited state)

1962 • 76 citations

Reformulation of the Jahn-Teller Theorem

1959 • 59 citations

L’interaction de configuration comme méthode de calcul des orbitales moléculaires du champ self-consistent

1957 • 57 citations

Prediction of Interatomic Distances and Force Constants in Diatomic Hydrides

1950 • 54 citations

THE ELECTRON DENSITY DISTRIBUTIONS IN HYDRIDE MOLECULES: I. THE WATER MOLECULE

1963 • 52 citations

Electron-Density Distributions in Hydride Molecules. The Ammonia Molecule

1963 • 46 citations

The forces between polyatomic molecules. II. Short-range repulsive forces

1961 • 45 citations

The Jahn-Teller effect in aromatic ions and radicals

1962 • 43 citations

Application of the Hellmann—Feynman and Virial Theorems to the Theoretical Calculation of Molecular Potential Constants

1966 • 37 citations

L’interaction de configuration comme méthode de calcul des orbitales moléculaires du champ self-consistent

1956 • 34 citations

Comment on ``Hellmann—Feynman Wave Functions''

1962 • 28 citations

Force Calculation with Hartree—Fock Wavefunctions

1963 • 23 citations

Numerical Calculations by the Hellmann—Feynman Procedure

1963 • 19 citations

L’Interaction de configuration comme méthode de calcul des orbitales moléculaires self-consistentes

1957 • 14 citations

Force Curves for Excited Electronic States

1960 • 10 citations

Internuclear Separation Derivatives of the Energy of a Diatomic Molecule

1968 • 7 citations

Alternative Method for Calculating SCF Orbitals

1955 • 4 citations

Le théorème électrostatique et les forces inter- et intra-moléculaires

1963 • 3 citations

Die Technik der Ofenatmosphäre

1937 • 1 citations