Energy-Band Structure of SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>from a Self-Consistent-Field Tight-Binding Calculation

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

The Spectra and Electronic Structure of the Tetrahedral Ions MnO4−, CrO4−−, and ClO4−

1952 • 1,468 citations

Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons

1967 • 1,426 citations

Theory of Brillouin Zones and Symmetry Properties of Wave Functions in Crystals

1936 • 979 citations

Methods in Computational Physics

1972 • 851 citations

Optical Properties and Band Structure of SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and BaTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml…

1965 • 752 citations

Quelques aspects de la théorie des orbitales moléculaires

1949 • 654 citations

Analytic Hartree-Fock Solutions for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mo>=</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

1958 • 552 citations

Computational Methods in Band Theory

1971 • 502 citations

Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. I. Inner-Shell, 3d and 4s Atomic Orbitals

1962 • 492 citations

Cancellation of Kinetic and Potential Energy in Atoms, Molecules, and Solids

1961 • 484 citations

Electronic Energy Bands in Strontium Titanate

1964 • 375 citations

Covalency Effects in KNi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>. III. Theoretical Studies

1963 • 339 citations

Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. II. 4p and 4d Atomic Orbitals

1963 • 217 citations

Band Structure and Fermi Surface of Re<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1969 • 216 citations

Influence of Electronic Polarization on the Optical Properties of Insulators

1966 • 192 citations

Optical Gap of Strontium Titanate (Deviation from Urbach Tail Behavior)

1970 • 191 citations

Energy Band Structure of Lithium by the Tight-Binding Method

1966 • 169 citations

Crystal-Field Effects in the Tight-Binding Approximation: Re<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and Perovskite Structures

1970 • 148 citations

Application of the Method of Tight Binding to the Calculation of the Energy Band Structures of Diamond, Silicon, and Sodium Crystals

1971 • 116 citations

Photoluminescence in SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1969 • 92 citations

Shubnikov—de Haas Effect in SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1967 • 84 citations

Optical Properties of SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>in the Region of the Absorption Edge

1968 • 80 citations

Electronic Structure and Spectrum of the Ni<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow><mml:mo>−</mml:mo><mml:mn>4</mml:mn><mml:mn /></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math>Cluster: Results of Calculations Based on Self-Consistent-Field Models

1971 • 76 citations

Magnetoresistance of Semiconducting SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1966 • 69 citations

On the calculation of crystal field parameters

1959 • 64 citations

Electron Tunneling and Band Structure of SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and KTa<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:…

1970 • 63 citations

Interband faraday rotation in some perovskite oxides and rutile

1967 • 63 citations

Energy Bands of Hexagonal NiS

1970 • 60 citations

Electronic Structures in Solids

1969 • 58 citations

Photoluminescence, Photocurrent, and Phase-Transition Correlations in SrTiO3

1967 • 54 citations

Open-Shell Self-Consistent-Field Molecular-Orbital Theory for Transition-Metal Clusters

1971 • 53 citations

Electron Delocalization and Spectra of Transition-Metal Fluorides

1969 • 38 citations

Energy Bands of VO

1970 • 30 citations

Energy Bands for KCl

1971 • 28 citations

The influence of the potential on electron energy bands in alkali halide crystals

1969 • 25 citations

Magnetoresistance in Semiconducting Strontium Titanate

1968 • 25 citations

On the Relationship between Superconductivity and the Communal Entropy of the Crystal Structure

1966 • 25 citations

Tight-Binding Calculations for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>Bands

1970 • 22 citations

ReO3 Band Structure in the Tight-Binding Approximation

1969 • 20 citations

Born's and Hund's Basic Potential as Useful Tools for Calculating Madelung's Coefficients of Complex Crystals

1959 • 19 citations

Structure de bande du titanate de baryum dans sa phase cubique

1971 • 17 citations

Optical Properties of SrTi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>under Applied Stress and Electric Field

1967 • 16 citations

Covalency and Band Gap in SrTiO₃

1965 • 16 citations

Total Energy and 2p O^- Ion Wave Function of MnO Crystal

1967 • 10 citations