Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models

Soliton excitations in polyacetylene

1980 • 3,019 citations

Absence of Mott Transition in an Exact Solution of the Short-Range, One-Band Model in One Dimension

1968 • 2,779 citations

Linear Magnetic Chains with Anisotropic Coupling

1964 • 2,441 citations

The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

1975 • 2,416 citations

Relationship between d-Dimensional Quantal Spin Systems and (d+1)-Dimensional Ising Systems: Equivalence, Critical Exponents and Systematic Approximants of the Partition Function and Spin Correlations

1976 • 1,089 citations

Quantum theory of atoms, molecules, and the solid state

1966 • 1,064 citations

Some remarks on the Pariser-Parr-Pople method

1964 • 1,007 citations

Theory of Ferromagnetism and the Ordering of Electronic Energy Levels

1962 • 590 citations

The alternation of bond lengths in long conjugated chain molecules

1959 • 563 citations

The electronic structure of some polyenes and aromatic molecules. VII. Bonds of fractional order by the molecular orbital method

1939 • 553 citations

Correlation effects in the spectra of polyenes

1976 • 393 citations

Linear Polyene Electronic Structure and Potential Surfaces

1982 • 376 citations

A nonempirical effective Hamiltonian technique for polymers: Application to polyacetylene and polydiacetylene

1981 • 352 citations

The Calculation of Matrix Elements for Lewis Electronic Structures of Molecules

1933 • 330 citations

Electronic Absorption Spectra and Geometry of Organic Molecules

1967 • 298 citations

Monte Carlo Simulation of Quantum Spin Systems. I

1977 • 263 citations

Solitons in Polyacetylene: Effects of Dilute Doping on Optical Absorption Spectra

1980 • 248 citations

Picosecond Dynamics of Photoexcited Gap States in Polyacetylene

1982 • 245 citations

Hubbard versus Peierls and the Su-Schrieffer-Heeger model of polyacetylene

1982 • 227 citations

Photogenerated Gap States in Polyacetylene

1982 • 226 citations

Polyacetylene, (CH)x: The Prototype Conducting Polymer

1982 • 219 citations

Thermodynamic Properties of the One-Dimensional Half-Filled-Band Hubbard Model

1972 • 202 citations

Electronic Structure of Polymers

1982 • 195 citations

Opto-electrochemical spectroscopy oftrans-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">CH</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>

1982 • 179 citations

Electronic energy levels in a homologous series of unsubstituted linear polyenes

1980 • 178 citations

Coulomb Effects on One-Dimensional Peierls Instability: The Peierls-Hubbard Model

1983 • 172 citations

Molecular association

1976 • 139 citations

Bond alternation, on-site Coulomb correlations, and solitons in polyacetylene

1981 • 131 citations

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2</mml:mn><mml:mrow><mml:msub><mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mi>F</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mrow><mml:msub><mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mi>F</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>instabilities in a one-quarter-filled-band Hubbard…

1983 • 129 citations

Electron-electron interaction effects on Peierls dimerization in a half-filled band

1984 • 125 citations

Spin Densities and Correlations in Regular Polyene Radicals

1983 • 125 citations

Classical equivalents of one-dimensional quantum-mechanical systems

1978 • 115 citations

Correlation effects in the low–lying excited states of the <scp>PPP</scp> models of alternant hydrocarbons. I. Qualitative rules for the effect of limited configuration interaction

1974 • 107 citations

Spin Densities in the Perinaphthenyl Free Radical

1958 • 92 citations

Theory of Electronic Structures and Lattice Distortions in Polyacetylene and Itinerant Peierls Systems. I: UHF Transfer Matrix Method Adapted to the Long Range Coulomb Interaction and UHF States in Regular Bond Alternated Lattice

1982 • 90 citations

VIOLATION OF THE NONCROSSING RULE: THE HUBBARD HAMILTONIAN FOR BENZENE*

1971 • 83 citations

Correlated states in finite polyenes: Exact PPP results

1982 • 77 citations

Negative Spin Densities in Aromatic Radicals

1957 • 77 citations

Thermodynamics of random-exchange Heisenberg antiferromagnetic chains

1980 • 72 citations

Valence bond theory of narrow-band conductors

1979 • 64 citations

Semi-empirical Parameters in pi-Electron Systems. I. Method and Application to Pure Hydrocarbons.

1967 • 58 citations

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2</mml:mn><mml:mrow><mml:msub><mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mrow><mml:msub><mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>…

1983 • 50 citations

Radiation Damage in Organic Crystals. III. Long Polyene Radicals

1962 • 46 citations

Electronic correlations and midgap absorption in polyacetylene

1983 • 41 citations

Electron photodetachment spectroscopy of polyene anions. Electron affinities of pentadienyl and heptatrienyl radicals

1978 • 38 citations

Static thermodynamic properties of the linear half-filled-band Hubbard model

1974 • 36 citations

The noncrossing rule and degeneracy in Hubbard models: Cyclobutadiene and benzene

1979 • 32 citations

Critical exponents for alternation in Heisenberg antiferromagnetic chains

1983 • 31 citations

An efficient approach to CI: General matrix element formulas for spin-coupled particle–hole excitations

1980 • 27 citations

Charge transfer transitions in extended correlated electronic systems

1979 • 26 citations

A new self-consistent-field valence bond method. II. The effective spin Hamiltonian

1982 • 25 citations

An iterative procedure for the calculation of the lowest real eigenvalue and eigenvector of a nonsymmetric matrix

1970 • 24 citations

Partial ionicity, cohesion, and charge correlations in narrow-band solids

1982 • 22 citations

Electronic Structure of Ion‐Radical Organic Solids and Polyenes

1983 • 17 citations

Thermodynamics of deformable spin-1/2 Heisenberg antiferromagnetic chains

1983 • 2 citations