Band Theory, Valence Bond, and Tight-Binding Calculations

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 • 6,923 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Simplified LCAO Method for the Periodic Potential Problem

1954 • 4,907 citations

A Simplification of the Hartree-Fock Method

1951 • 4,355 citations

Zur Theorie der Metalle

1931 • 3,495 citations

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

Note on Exchange Phenomena in the Thomas Atom

1930 • 3,092 citations

�ber die Quantenmechanik der Elektronen in Kristallgittern

1929 • 3,080 citations

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

1950 • 2,996 citations

On the Interaction of Electrons in Metals

1934 • 2,793 citations

New Approach to the Theory of Superexchange Interactions

1959 • 2,392 citations

The Structure of Electronic Excitation Levels in Insulating Crystals

1937 • 2,008 citations

Quantisierung als Eigenwertproblem

1926 • 1,919 citations

The Basis of the Electron Theory of Metals, with Special Reference to the Transition Metals

1949 • 1,829 citations

Wechselwirkung neutraler Atome und hom�opolare Bindung nach der Quantenmechanik

1927 • 1,778 citations

N�herungsmethode zur L�sung des quantenmechanischen Mehrk�rperproblems

1930 • 1,701 citations

Antiferromagnetism. Theory of Superexchange Interaction

1950 • 1,683 citations

Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium

1929 • 1,578 citations

Band Structure of Graphite

1958 • 1,560 citations

General Theory of Spin-Wave Interactions

1956 • 1,552 citations

The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods

1928 • 1,512 citations

Self-Consistent Field Approach to the Many-Electron Problem

1959 • 1,454 citations

Some Recent Advances in Density Matrix Theory

1960 • 1,428 citations

An Approximate Quantum Theory of the Antiferromagnetic Ground State

1952 • 1,279 citations

The Theory of Positrons

1949 • 1,229 citations

On the Constitution of Metallic Sodium

1933 • 1,213 citations

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

Quantum theory of cohesive properties of solids

1956 • 1,199 citations

Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects

1955 • 1,103 citations

Analytic Properties of Bloch Waves and Wannier Functions

1959 • 1,092 citations

Effects of the electron interaction on the energy levels of electrons in metals

1938 • 1,084 citations

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

1936 • 979 citations

Wave Functions in a Periodic Potential

1937 • 846 citations

Many-Body Problem for Strongly Interacting Particles. II. Linked Cluster Expansion

1955 • 757 citations

Magnetic Effects and the Hartree-Fock Equation

1951 • 729 citations

Band Structure of Graphite and de Haas-van Alphen Effect

1957 • 711 citations

The Spin-Wave Theory of Antiferromagnetics

1952 • 703 citations

Quelques aspects de la théorie des orbitales moléculaires

1949 • 654 citations

Über eine neue Methode zur Lösung gewisser Variationsprobleme der mathematischen Physik.

1909 • 634 citations

Two-Body Forces and Nuclear Saturation. III. Details of the Structure of the Nucleus

1955 • 601 citations

L'interaction Entre les Atomes Magnétogènes dans un Cristal Paramagnétique

1934 • 594 citations

Mehrk�rperproblem und Resonanz in der Quantenmechanik

1926 • 586 citations

Nuclear Many-Body Problem

1956 • 553 citations

XXXIV. Notes on the molecular orbital treatment of the hydrogen molecule

1949 • 541 citations

A Method for Obtaining Electronic Eigenfunctions and Eigenvalues in Solids with An Application to Sodium

1947 • 541 citations

Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitf�higkeit

1929 • 531 citations

On the Constitution of Metallic Sodium. II

1934 • 520 citations

A New Method for Calculating Wave Functions in Crystals

1940 • 510 citations

Scaling problem, virial theorem, and connected relations in quantum mechanics

1959 • 502 citations

A Collective Description of Electron Interactions: IV. Electron Interaction in Metals

1953 • 500 citations

Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock Approximation

1955 • 448 citations

The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules

1953 • 434 citations

The Theory and Calculation of Screening Constants

1930 • 419 citations

Electron Self-Energy Approach to Correlation in a Degenerate Electron Gas

1958 • 410 citations

Zur Deutung der Molekelspektren. IV

1928 • 359 citations

Cohesion in Monovalent Metals

1930 • 357 citations

Approximate Reduction of the Many-Body Problem for Strongly Interacting Particles to a Problem of Self-Consistent Fields

1955 • 347 citations

Simple Groups and Strong Interaction Symmetries

1962 • 338 citations

Energy, Specific Heat, and Magnetic Properties of the Low-Density Electron Gas

1961 • 333 citations

The Calculation of Matrix Elements for Lewis Electronic Structures of Molecules

1933 • 330 citations

Two-Body Forces and Nuclear Saturation. I. Central Forces

1954 • 329 citations

The Assignment of Quantum Numbers for Electrons in Molecules. I

1928 • 326 citations

Directed Valence in Polyatomic Molecules

1931 • 323 citations

A dielectric formulation of the many body problem: Application to the free electron gas

1958 • 317 citations

The electronic structure of some diatomic molecules

1929 • 310 citations

Superposition of Configurations and Natural Spin Orbitals. Applications to the He Problem

1959 • 305 citations

The Quantum Theory of Valence

1935 • 303 citations

�ber die Spektra von Atomsystemen mit zwei Elektronen

1926 • 285 citations

Energy-Band Interpolation Scheme Based on a Pseudopotential

1958 • 280 citations

Bemerkung zum Virialsatz

1930 • 275 citations

Nuclear Saturation and Two-Body Forces. II. Tensor Forces

1954 • 269 citations

Spin Waves

1958 • 268 citations

Electronic Energy Bands in Metals

1934 • 264 citations

Electron interactions

1959 • 262 citations

Orthogonalization Procedures and the Localization of Wannier Functions

1957 • 253 citations

Electronic correlation energy in 3- and 4-electron atoms

1961 • 251 citations

On the Solution of the Hartree-Fock Equation in Terms of Localized Orbitals

1961 • 248 citations

Effect of Time-Reversal Symmetry on Energy Bands of Crystals

1937 • 247 citations

The Dirac Vector Model in Complex Spectra

1934 • 246 citations

Character tables for two space groups

1942 • 245 citations

Theory of Separated Electron Pairs

1958 • 232 citations

A Soluble Problem in Energy Bands

1952 • 216 citations

The Electronic Structure of Metals

1934 • 213 citations

Electron interactions

1959 • 212 citations

The Theoretical and Experimental Status of the Collective Electron Theory of Ferromagnetism

1953 • 209 citations

An Augmented Plane Wave Method for the Periodic Potential Problem

1953 • 205 citations

Band Structure and Cohesive Energy of Potassium Chloride

1958 • 197 citations

Electronic Structures of Polyatomic Molecules and Valence. II. General Considerations

1932 • 194 citations

Theoretical Investigation of the Electronic Energy Band Structure of Solids

1958 • 194 citations

Experimental Investigations of the Electronic Band Structure of Solids

1958 • 194 citations

Electron Interaction in Solids. General Formulation

1958 • 189 citations

Structure of Nuclear Matter

1960 • 173 citations

Extension of the Dirac Vector Model to Include Several Configurations

1934 • 170 citations

Theorem on Separability of Electron Pairs

1960 • 157 citations

Crystal Potential and Energy Bands of Semiconductors. III. Self-Consistent Calculations for Silicon

1960 • 157 citations

The Quantum Mechanics of Electrons in Crystals

1930 • 153 citations

Correlation Splitting in Helium‐Like Ions

1956 • 153 citations

Quantenmechanische Berechnung des Verlaufes der Gitterenergie des Na-Cl-Gitters in Abh�ngigkeit vom Gitterabstand

1936 • 149 citations

On the Reduction of Space Groups

1936 • 147 citations

Ferromagnetism and the Band Theory

1953 • 140 citations

The Theoretical Constitution of Metallic Lithium

1935 • 134 citations

Wave Functions and Energy Levels for Fe as Found by the Unrestricted Hartree-Fock Method

1957 • 134 citations

Long-range interaction of two ls-hydrogen atoms expressed in terms of natural spin-orbitals

1959 • 134 citations

XXVIII. The electronic structure of diamond

1952 • 129 citations

Unrestricted Hartree-Fock Method: Electron Densities and Magnetic Form Factors for Spin Polarized<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Ni</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

1960 • 128 citations

Expansion Theorems for the Total Wave Function and Extended Hartree-Fock Schemes

1960 • 126 citations

Note on the Interpretation of the Density Matrix in the Many-Electron Problem

1931 • 126 citations

The valence bond theory of molecular structure - I. Orbital theories and the valence-bond method

1954 • 124 citations

BAND STRUCTURE OF RHOMBOHEDRAL GRAPHITE

1958 • 123 citations

Les problèmes de perturbations et les champs self-consistents

1932 • 123 citations

On the basis of orbital theories

1955 • 120 citations

Self-consistent field for molecular hydrogen

1938 • 119 citations

An Augmented Plane-Wave Method for the Periodic Potential Problem. II

1953 • 118 citations

Superposition of Configurations

1952 • 117 citations

Crystal Potential and Energy Bands of Semiconductors. II. Self-Consistent Calculations for Cubic Boron Nitride

1960 • 116 citations

Note on Orthogonal Atomic Orbitals

1951 • 112 citations

New Soluble Energy Band Problem

1958 • 112 citations

Effective Mass Theory in Solids from a Many-Particle Standpoint

1957 • 112 citations

The Solution of Problems Involving Permutation Degeneracy

1934 • 111 citations

Simplification in Finding Symmetry-Adapted Eigenfunctions

1956 • 109 citations

Unrestricted Hartree-Fock Method

1956 • 102 citations

Variational Methods for Periodic Lattices

1952 • 101 citations

Crystal Potential and Energy Bands of Semiconductors. I. Self-Consistent Calculations for Diamond

1959 • 99 citations

Three Remarks on Molecular Orbital Theory of Complex Molecules

1960 • 95 citations

The band structure of aluminium I. Determination from experimental data

1957 • 92 citations

The Empty Lattice Test of the Cellular Method in Solids

1937 • 92 citations

Note on the Separability Theorem for Electron Pairs

1961 • 91 citations

Das eigenwertproblem im eindimensionalen periodischen kraftfelde

1935 • 86 citations

Orthogonalized Plane Wave Method

1955 • 84 citations

Electronic Energy Bands in Crystals

1952 • 80 citations

The description of collective motions in terms of many-body perturbation theory III. The extension of the theory to the non-uniform gas

1958 • 80 citations

Hyperfine Splitting of the Lithium Ground State

1960 • 78 citations

Collective electron ferromagnetism in metals and alloys

1951 • 72 citations

Maximum Overlap Atomic and Molecular Orbitals

1961 • 71 citations

Correlation Energies of Some He- and Ne-Like Systems

1958 • 68 citations

The Fermi, or Exchange, Hole in Atoms

1956 • 65 citations

Quantum Theory of Electronic Structure of Molecules

1960 • 65 citations

Les électrons libres dans les métaux et le role des réflexions de Bragg

1930 • 64 citations

Study of the Surface States of Diamond and Graphite by a Simple MO-LCAO Method

1960 • 62 citations

Cohesive Energy of Alkali Metals

1953 • 62 citations

A Simplified Method of Computing the Cohesive Energies of Monovalent Metals

1950 • 61 citations

A Self-consistent Calculation of the Graphite Band

1959 • 61 citations

The electronic structure of diamond, silicon and germanium

1958 • 59 citations

Nonorthogonality and Ferromagnetism

1936 • 59 citations

The density matrix in self-consistent field theory II. Applications in the molecular orbital theory of conjugated systems

1956 • 58 citations

Dielectric Formulation of Quantum Statistics of Interacting Particles

1960 • 55 citations

Giant Fluctuations in a Degenerate Fermi Gas

1960 • 54 citations

Crystalline Field and Spin Polarization Effects on Electron Densities and Magnetic Form Factors

1960 • 54 citations

LIII. The spatial correlation of electrons in atoms and molecules: I helium and similar two electron systems in their ground states

1952 • 52 citations

Spin Densities in Odd Alternant Hydrocarbon Radicals

1960 • 52 citations

On the Electronic States of the Doubly-charged Negative Ions of Oxygen in Oxide Crystals

1952 • 51 citations

Restricted and unrestricted hartree-fock calculations for atomic lithium

1960 • 51 citations

Effect of the Lattice on Dielectric Properties of an Electron Gas

1960 • 50 citations

The molecular orbital theory of chemical valency. XI. Bond energies, resonance energies and triplet state energies

1952 • 48 citations

Radial Configurational Interaction in Helium and Similar Atomic Systems

1956 • 48 citations

On the Calculation of the Inverse of the Overlap Matrix in Cyclic Systems

1960 • 48 citations

Calculating of the Cohesive Energy of Diamond

1953 • 47 citations

The Augmented Plane Wave and related methods for Crystal Eigenvalue Problems

1956 • 46 citations

Application of the Alternant Orbital Method to Benzene

1955 • 46 citations

Use of Non-orthogonal Wave Functions in the Treatment of Solids, with Applications to Ferromagnetism

1953 • 45 citations

Correlation Energy in a Model Semiconductor

1959 • 44 citations

Energy Band Structure of Lithium by a Modified Plane Wave Method

1958 • 42 citations

Tight-Binding Method for Hexagonal Close-Packed Structure

1957 • 41 citations

Non-Orthogonal Wave Functions and Ferromagnetism

1934 • 41 citations

The many-body problem and the Brueckner approximation

1957 • 39 citations

On the Stability of the Hartree-Fock Solution in Many-Body Problem

1961 • 37 citations

Metallic Transition in Lithium Hydride

1959 • 34 citations

Application of the Augmented Plane Wave Method to Copper

1955 • 33 citations

A convenient general solution of the confluent hypergeometric equation, analytic and numerical development

1951 • 32 citations

A Comparative Survey of Approximate Ground State Wave Functions of Helium Atom and Hydrogen Molecule

1952 • 28 citations

An Application of the W.K.B. Method to the Cohesive Energy of Monovalent Metals

1950 • 27 citations

Oxygen Band in Magnesium Oxide

1958 • 24 citations

The band structure of metals

1952 • 23 citations

Theory of Cohesive Energy of LiH Crystal

1958 • 23 citations

Generalization of Band Theory to Include Self-Energy Corrections

1960 • 23 citations

Maximal Orthogonal Orbitals

1956 • 22 citations

Band structure calculations in solids

1960 • 19 citations

Many-Particle Approach to the One-Electron Problem in Insulators and Semiconductors

1959 • 18 citations

New Quantum-Mechanical Representation

1959 • 18 citations

Calculation of the Cohesive Energy of Zincblende

1956 • 16 citations

Electronic Band Structure of Boron Carbide

1957 • 15 citations

Towards a theory of the crystallographic point groups

1961 • 13 citations

Electronic Band Structure in Graphite

1957 • 13 citations

Fragen der gegenwärtigen Quantentheorie elektronischer Leiter

1953 • 12 citations

The Electronic Structure of Crystals having the Sodium Chloride type of Lattice

1958 • 10 citations

The resonating-valence-bond theory of metals

1949 • 10 citations

Consideration on Non-Orthogonality Catastrophe in the Heitler-London Theory. I

1959 • 9 citations

Theory of Cohesive Energies and Energy-Band Structures of Diamond-Type Valence Crystals

1958 • 9 citations

On the Non-Orthogonality Difficulty in Ferromagnetism

1959 • 9 citations

Study of the Wurtzite-Type Binary Compounds. III. Valence Band Structure of BeO

1959 • 8 citations

Some remarks about electron-correlation

1957 • 8 citations

Properties of Wannier Functions

1958 • 7 citations

On the Diamagnetism of Graphite, I. Energy Levels of π-electrons

1959 • 6 citations

Homopolar Effects in Crystals having the Sodium Chloride Type of Lattice

1957 • 5 citations

Valence Bond Calculations

1954 • 5 citations

Electronic Structure and Diamagnetism of Graphite

1958 • 4 citations

Exakte Grundlagen der Theorie der Spinwellen

1958 • 3 citations