Perturbative ab initio calculations of intermolecular energies. I. Method

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1950 • 2,996 citations

Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions

1973 • 1,200 citations

�ber das Verh�ltnis der van der Waalsschen Kr�fte zu den hom�opolaren Bindungskr�ften

1930 • 748 citations

Configuration interaction in orbital theories

1955 • 583 citations

The Stark Effect from the Point of View of Schroedinger's Quantum Theory

1926 • 509 citations

Orthogonalization Procedures and the Localization of Wannier Functions

1957 • 253 citations

Intermolecular Forces in the Region of Small Orbital Overlap

1967 • 245 citations

Molecular-Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O

1968 • 243 citations

Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl Reaction

1967 • 234 citations

Perturbation theory for exchange forces, I

1967 • 194 citations

Theory of Weak Atomic and Molecular Interactions

1967 • 166 citations

The Use of Perturbation Methods for the Study of the Effects of Configuration Interaction

1967 • 164 citations

Ab InitioCalculation of the Helium-Helium<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Σ</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow><mml:mo>+</mml:mo></mml:mrow><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow></mml:math>Potential at Intermediate and Large Separations

1970 • 145 citations

Calculation of the Attractive He Pair Potential

1970 • 114 citations

Theory of intermolecular forces. I. On the inadequacy of the usual Rayleigh‐Schrödinger perturbation method for the treatment of intermolecular forces

1971 • 94 citations

Corr�lation �lectronique et effets de base dans l'�tude de la liaison hydrog�ne: le dim�re mixte ammoniac-eau

1973 • 91 citations

Iterative calculation by perturbation of the configuration interaction for fundamental state and first excited states of MgO

1972 • 60 citations

Perturbative ab initio calculations of intermolecular energies. II. The He ··· He problem

1974 • 59 citations

Intermolecular interactions by perturbation theory including exchange effects

1967 • 55 citations

The He-He potential energy in the region of the van der Waals minimum

1967 • 51 citations

Formald�hyde: calcul de l'�nergie dans l'�tat fondamental par une m�thode de perturbation

1970 • 49 citations

Energy of Interaction between Two Molecules

1966 • 46 citations

A new description of interatomic and intermolecular interactions

1967 • 43 citations

Perturbative ab initio calculations of intermolecular energies. III. The water dimer

1974 • 37 citations

Second order exchange forces

1965 • 35 citations

The helium-helium potential in the region of the van der Waals minimum

1968 • 24 citations

High orders corrections to the Van der, Waals–London forces. I. A model problem: Two interacting hydrogen molecules is the minimal basis set

1971 • 4 citations