SCF‐X αSW calculations on PH₃ using a nonempirical scheme for choosing overlapping‐sphere radii

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Molecular Photoelectron Spectroscopy

1972 • 1,241 citations

Optimization of the Statistical Exchange Parameter<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>for the Free Atoms H through Nb

1972 • 1,172 citations

Self-Consistent-Field<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>Cluster Method for Polyatomic Molecules and Solids

1972 • 891 citations

Scattered-Wave Theory of the Chemical Bond

1973 • 883 citations

Photoelectron spectra and valence shell orbital structures of groups V and VI hydrides

1972 • 336 citations

Computational Methods for Large Molecules and Localized States in Solids

1973 • 225 citations

Hellmann-Feynman and Virial Theorems in the X α Method

1972 • 205 citations

On the use of overllapping spheres in the SCF Xα scattered-wave method

1973 • 152 citations

Ground state self-consistent-field wave functions and molecular properties for the isoelectronic series SiH4, PH3, H2S, and HCl

1970 • 141 citations

One-Center Basis Set SCF MO's. II. NH3, NH4+, PH3, PH4+

1964 • 113 citations

An SCF Xα scattered-wave calculation for ferrocene

1974 • 82 citations

Bonding, spectra, and geometry of the tetrachlorocuprate ion CuCl42-. Ab initio LCAO-MO-SCF calculation

1973 • 81 citations

Photoelectron spectroscopy and the geometry of the phosphine and phosphorous trifluoride molecular ions

1972 • 67 citations

Electronic structure of square-planar transition metal complexes. II. Zeise's anion, trichloro(1,2-ethanediyl)platinate(1-)

1974 • 67 citations

Absorption spectra of the hydrides, deuterides and halides of group 5 elements

1963 • 56 citations

The photoelectron spectra of phosphine and arsine

1970 • 51 citations

The Structure of Phosphine

1953 • 50 citations

Electronic structure of square-planar transition metal complexes. I. Tetrachloroplatinate(2-) and tetrachloropalladate(2-) ions

1974 • 43 citations

Comparative SCF and CI studies of NH3 and PH3

1973 • 36 citations

Self-Consistent Field Electron Distributions in Molecules with Second-Row Elements

1970 • 30 citations

Effect of anharmonic vibrations on the bond lengths of polyatomic molecules

1961 • 25 citations

SCF [self-consistent field]-X.alpha. scattered wave calculation of the electronic structure of dioxygenbis(phosphine)platinum

1974 • 15 citations

MCSCF method in the calculation of spin density distributions

1970 • 9 citations