Calculation of electronic structure ofTCNQ molecule by self-consistent statistical-exchange multiple-scattering method

Organic charge-transfer complexes

1969 • 1,788 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

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

Electric and magnetic properties of linear conducting chains

1972 • 542 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

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

The UV spectra and their calculation of TCNQ and its mono- and di-valent anion

1972 • 141 citations

Pople-like SCF—LCAO—MO Treatment of 77′,88′-Tetracyanoquinodimethan and Its Univalent Anion

1967 • 140 citations

Electronic Spectra of Crystalline TCNQ Anion Radical Salts. I. Simple Salts

1969 • 138 citations

Polarized Absorption Spectra of Single Crystals of Ion Radical Salts. II. K(TCNQ) and Cs2(TCNQ)3

1971 • 84 citations

Electronic Structure of the Tetracyanoquinodimethane (TCNQ) Molecule

1974 • 64 citations

Polarized Absorption Spectra of the TCNQ Crystal

1970 • 36 citations

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

1973 • 32 citations

Electron Conduction in Charge-Transfer Molecular Crystals

1962 • 23 citations