Two-dimensional, fully numerical molecular calculations

Statistical Exchange-Correlation in the Self-Consistent Field

1972 • 1,008 citations

Studies in Configuration Interaction: The First-Row Diatomic Hydrides

1969 • 395 citations

Dipole Moment and Hyperfine Parameters of H35Cl and D35Cl

1970 • 374 citations

Hyperfine Structure Constants of HF and DF

1970 • 324 citations

Quadrupole moment of the deuteron from a precise calculation of the electric field gradient in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1979 • 176 citations

Ab initio configuration interaction calculations of the hyperfine structure in small radicals

1984 • 171 citations

Preliminary Values of Some Molecular Constants of Lithium Hydride

1962 • 161 citations

Computed Ground-State Properties of FH and CH

1967 • 160 citations

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

1970 • 141 citations

Quadrupole Shielding and Antishielding Factors for Several Atomic Ground States

1972 • 111 citations

First‐order properties and the Hellmann–Feynman theorem in the case of a limited <scp>CI</scp> wave function

1979 • 109 citations

MCSCF calculations for six states of NaH

1975 • 89 citations

Two‐dimensional fully numerical solutions of molecular Schrödinger equations. I. One‐electron molecules

1983 • 85 citations

Nuclear quadrupole moment of lithium from combined fully numerical and discrete basis-set calculations on LiH

1984 • 81 citations

Two‐Dimensional fully numerical solutions of molecular Schrödinger equations. II. Solution of the Poisson equation and results for singlet states of H₂ and HeH⁺

1983 • 77 citations

Two‐Dimensional, fully numerical molecular calculations. IV. hartree–fock–slater results on second‐row diatomic molecules

1985 • 63 citations

Quadrupole Moment of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Li</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>

1964 • 57 citations

Molecular Constants of Lithium Hydrides by the Molecular-Beam Electric Resonance Method

1969 • 55 citations

Atomic Bethe-Goldstone Calculations of the Hyperfine Structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">B</mml:mi><mml:mo>(</mml:mo><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>P</mml:mi></mml:mrow><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow><mml:mo>)</mml:mo></mml:math>

1970 • 48 citations

The electronic structure and molecular properties of boron hydride in its ground and excited states

1969 • 44 citations

Quadrupole Moment of Li

1971 • 43 citations

Spectroscopic quadrupole moment of 23Na from muonic X-rays

1983 • 41 citations

New values of quadrupole moments of fluorine nuclei

1982 • 38 citations

Electric field gradient and electronic structure of linear-bonded halide compounds

1983 • 36 citations

Frozen core approximation, a pseudopotential method tested on six states of NaH

1975 • 26 citations

Bond length dependence of the electric properties of lithium hydride

1982 • 23 citations

SCF-MS-X? study of the bonding and nuclear quadrupole coupling in trihalide ions XY ? 2 (X = I, Br or Cl; Y = I, Br, Cl or F) and xenon difluoride

1984 • 20 citations

Hartree-Fock-Slater LCAO calculation of the Mössbauer parameters of some antimony compounds

1983 • 19 citations

Electric field gradient calculations with one-centre expansion wave functions

1967 • 10 citations

Matrix Elements of z/r3 and (3z2—r2)/r5 in a Slater Basis for Linear Systems

1967 • 9 citations

The electric hyperfine interaction in solid fluorine

1982 • 7 citations

The calculation of one-electron properties using the pseudopotential Hartree-Fock-Slater LCAO method

1984 • 7 citations

One-centre-expansion self-consistent-field (OCE-SCF) calculations on HCl. Part 3.—Electric field gradient (EFG) of the 1σ molecular orbital and the Sternheimer effect

1978 • 3 citations

Calculation of the Bromine Nuclear Pseudoquadrupole Coupling Constant in the LiBr Molecule Using a Density-of-States Function Deduced from Overlap Integrals

1976 • 1 citations