Multiple scattering method based on overlapping atomic spheres with application to the TCNQ molecule

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Electron transfer in a new highly conducting donor-acceptor complex

1973 • 1,767 citations

Optimization of the Statistical Exchange Parameter<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>for the Free Atoms H through Nb

1972 • 1,172 citations

Superconducting fluctuations and the peierls instability in an organic solid

1973 • 1,024 citations

Statistical Exchange-Correlation in the Self-Consistent Field

1972 • 1,008 citations

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

Scattered-Wave Theory of the Chemical Bond

1973 • 883 citations

Quantum Theory of Molecules and Solids Vol. 4: The Self-Consistent Field for Molecules and Solids

1974 • 614 citations

Electric and magnetic properties of linear conducting chains

1972 • 542 citations

Computational Methods in Band Theory

1971 • 502 citations

``Multiple-Scattering'' Model for Polyatomic Molecules

1966 • 427 citations

Metal-Insulator Transition and Antiferromagnetism in a One-Dimensional Organic Solid

1972 • 371 citations

The crystal and molecular structure of 7,7,8,8-tetracyanoquinodimethane

1965 • 328 citations

Computational Methods for Large Molecules and Localized States in Solids

1973 • 225 citations

The crystal structure of rubidium–7,7,8,8-tetracyanoquinodimethane, Rb–TCNQ, at –160°C

1972 • 211 citations

Hellmann-Feynman and Virial Theorems in the X α Method

1972 • 205 citations

Valence Electronic Structure and Charge Transfer in Tetrathiofulvalinium Tetracyanoquinodimethane (TTF-TCNQ) from Photoemission Spectroscopy

1974 • 154 citations

On the use of overllapping spheres in the SCF Xα scattered-wave method

1973 • 152 citations

Multiple scattering by non-muffin-tin potentials: general formulation

1974 • 142 citations

Muffin-tin orbitals and molecular calculations: General formalism

1973 • 137 citations

An SCF Xα scattered-wave calculation for ferrocene

1974 • 82 citations

Electronic Structure of the Tetracyanoquinodimethane (TCNQ) Molecule

1974 • 64 citations

Low temperature adsorption of CO on plycrystalline molybdenum, studied by X-ray and vacuum UV photoelectron spectroscopy

1974 • 53 citations

Non-Muffin-Tin Energy Bands for Silicon by the Korringa-Kohn-Rostoker Method

1970 • 47 citations

Electronic structure calculations for large planar molecules by SCF-scattered wave method

1973 • 32 citations

Multiple scattering by non-muffin-tin potentials

1972 • 29 citations