Ground States of Constrained Systems: Application to Cerium Impurities

Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

1976 • 3,562 citations

Proof that<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mfrac><mml:mrow><mml:mi>∂</mml:mi><mml:mi>E</mml:mi></mml:mrow><mml:mrow><mml:mi>∂</mml:mi><mml:mrow><mml:msub><mml:mrow><mml:mi>n</mml:mi></mml:mrow><mml:mrow><mml:mi>i</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:mrow></mml:mfrac><mml:mo>=</mml:mo><mml:mi>ε</mml:mi></mml:math>in density-functional theory

1978 • 1,927 citations

Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v -representability problem

1979 • 1,817 citations

Statistical Exchange-Correlation in the Self-Consistent Field

1972 • 1,008 citations

The magnetism of iron

1979 • 462 citations

Magnetism of iron. II

1979 • 343 citations

Relativistic calculations of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mi>f</mml:mi></mml:math>excitation energies in the rare-earth metals: Further results

1978 • 303 citations

Electronic structure of magnetic impurities calculated from first principles

1980 • 259 citations

Self-consistent cluster calculations with correct embedding for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mi>d</mml:mi></mml:math>, and some<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>sp</mml:mi></mml:math>impurities in copper

1984 • 251 citations

Disordered local moment state of magnetic transition metals: a self-consistent KKR CPA calculation

1983 • 230 citations

Magnetism of iron above the Curie temperature

1983 • 210 citations

Local-band theory of itinerant ferromagnetism. IV. Equivalent Heisenberg model

1979 • 164 citations

Single-Site Spin Fluctuation Theory of Itinerant-Electron Systems with Narrow Bands. II. Iron and Nickel

1980 • 142 citations

Study of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mi>f</mml:mi></mml:math>Levels in Rare-Earth Metals by High-Energy Spectroscopies

1979 • 116 citations

Theory of itinerant ferromagnetism in the 3-d transition metals

1979 • 98 citations

Magnetism in transition metals at finite temperatures. I. Computational model

1982 • 90 citations

Tractable Approach for Calculating Lattice Distortions around Simple Defects in Semiconductors: Application to the Single Donor Ge in GaP

1982 • 55 citations

4f-ionization of atomic cerium

1983 • 13 citations