Local Spin-Density Description of Multiple Metal-Metal Bonding:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Mo</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub…

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1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

Ground State of the Electron Gas by a Stochastic Method

1980 • 13,746 citations

A local exchange-correlation potential for the spin polarized case. i

1972 • 5,288 citations

Norm-Conserving Pseudopotentials

1979 • 4,047 citations

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

1976 • 3,562 citations

Calculated Electronic Properties of Metals

1978 • 2,787 citations

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1982 • 2,226 citations

Multiple Bonds Between Metal Atoms

2005 • 1,848 citations

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1979 • 1,413 citations

Non-singular atomic pseudopotentials for solid state applications

1980 • 562 citations

A new computational approach to Slater’s SCF–Xα equation

1975 • 423 citations

Relativistic norm-conserving pseudopotential

1980 • 264 citations

Density functional theory and molecular bonding. III. Iron-series dimers

1979 • 247 citations

Theory of alloy phase formation

1980 • 240 citations

Metal-Metal Bonding in Cr-Cr and Mo-Mo Dimers: Another Success of Local Spin-Density Theory

1983 • 152 citations

The bond length of chromium dimer

1982 • 150 citations

Nature of Mo-Mo and Cr-Cr Multiple Bonds: A Challenge for the Local-Density Approximation

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1978 • 109 citations

Spin-Component Analysis of Single-Determinant Wavefunctions

1963 • 98 citations

Calculation of the ionization potentials of ozone and ammonia by a LCAO-Xα method

1974 • 78 citations

Dissociation Energy of Cr2

1966 • 64 citations

Dimolybdenum: nature of the sextuple bond

1980 • 62 citations

Mass spectrometric observation and bond dissociation energy of dimolybdenum, Mo2(g)

1978 • 47 citations

Theoretical study of the chromium-chromium quadruple bond

1982 • 30 citations

Bond energy and conformation of the molybdenum-to-molybdenum triple bond

1980 • 19 citations

Langevin model of the rotational motion of molecules: Two-dimensional rotator in a cubic potential

1982 • 13 citations