LCAO-local-spin-density calculations for V2 and Mn2

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

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

1980 • 19,673 citations

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

1976 • 3,562 citations

On first-row diatomic molecules and local density models

1979 • 627 citations

Ground-state thermomechanical properties of some cubic elements in the local-density formalism

1975 • 410 citations

Supersonic metal cluster beams of refractory metals: Spectral investigations of ultracold Mo2

1983 • 340 citations

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

1979 • 247 citations

GTO basis sets for heavier elements

1977 • 235 citations

Electronic structure and vibrational frequency of Cr2

1983 • 227 citations

ESR of Mn2 and Mn5 molecules in rare-gas matricesa)

1983 • 166 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

Experimental and predicted stability of diatomic metals and metallic clusters

1980 • 139 citations

Diatomic and triatomic scandium and diatomic manganese: A resonance Raman study

1984 • 131 citations

The bond length and electronic structure of V2

1984 • 124 citations

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

1982 • 118 citations

Valence correlation in the s2d n, s d n+1, and d n+2 states of the first-row transition metal atoms

1981 • 115 citations

The "sextuple" bond of chromium dimer

1981 • 112 citations

Dititanium and divanadium

1980 • 112 citations

On the electronic spectrum of the Mo2 molecule observed after flash photolysis of Mo(CO)6

1978 • 109 citations

Theoretical evidence for multiple 3d bondig in the V2 and Cr2 molecules

1983 • 98 citations

Heisenberg Exchange Interaction of Two Mn Atoms

1964 • 95 citations

LCAO local-spin-density and Xα calculations for Cr₂and Mo₂

1984 • 88 citations

Dichromium and trichromium

1982 • 79 citations

The antiferromagnetic Mn2 molecule

1981 • 64 citations

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…

1983 • 63 citations

The A←X transition in Cr2: Predissociation, isotope effects, and the 1–1 sequence band

1983 • 63 citations

Ground-state exchange energy of the Mn2 antiferromagnetic molecule

1982 • 42 citations

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>,<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></mml:mrow></mml:math>, and the symmetry dilemma

1983 • 34 citations

The electronic absorption spectrum of the CrMo molecule

1976 • 29 citations

A theoretical investigation of the bond length of dichromium

1983 • 28 citations

Emission, ground, and excited state absorption spectroscopy of Cr2 isolated in Ar and Kr matrices

1983 • 25 citations

Theoretical studies of metal clusters and of chemisorption on metals

1984 • 21 citations

An atomic Gaussian-type orbital roothaan-hartree-fock program

1983 • 13 citations