Modified Generalized Valence-Bond Method: A Simple Correction for the Electron Correlation Missing in Generalized Valence-Bond Wave Functions; Prediction of Double-Well States for<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<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:…

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

The spectrum of molecular nitrogen

1977 • 1,559 citations

Binding energies in atomic negative ions

1975 • 1,526 citations

Multiple Bonds Between Metal Atoms

1993 • 1,097 citations

Improved Theoretical Ground-State Energy of the Hydrogen Molecule

1968 • 587 citations

Generalized valence bond description of bonding in low-lying states of molecules

1973 • 490 citations

Improved potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule

1975 • 173 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

Binding energies and structure of transition metal negative ions

1981 • 145 citations

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

1982 • 118 citations

The "sextuple" bond of chromium dimer

1981 • 112 citations

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

1978 • 109 citations

Dissociation Energy of Cr2

1966 • 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

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

1978 • 47 citations

Fluorescence spectrum of Mo2 in argon and krypton matrices

1981 • 35 citations

Theoretical studies of metal clusters and of chemisorption on metals

1984 • 21 citations

Analysis of the true parameters in the correlated effective valence shell Hamiltonian of Li2 and comparison with semiempirical parameters

1984 • 18 citations