Estimates of some molecular relativistic energies from single-centre expansions

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

Self-Consistent-Field Dirac-Slater Wave Functions for Atoms and Ions. I. Comparison with Previous Calculations

1965 • 496 citations

The calculation of atomic structures

1958 • 459 citations

Relativistic Self-Consistent-Field Theory for Closed-Shell Atoms

1967 • 343 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Electronic Structure of N2, CO, and BF

1964 • 286 citations

Relativistic self-consistent fields

1961 • 241 citations

Relativistic Calculations of Electron Binding Energies by a Modified Hartree-Fock-Slater Method

1968 • 211 citations

One-Center Basis Set SCF MO's. III. H2O, H2S, and HCl

1964 • 198 citations

The relativistic self-consistent field

1935 • 174 citations

Approximate Hartree–Fock Wavefunctions, One-Electron Properties, and Electronic Structure of the Water Molecule

1968 • 173 citations

Electronic Structure of Diatomic Molecules. VII.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the Second-Row Hydrides, AH

1967 • 173 citations

SCF-MO Wave Functions for the Hydrogen Fluoride Molecule

1962 • 138 citations

Higher Polarizabilities of Linear Molecules

1967 • 122 citations

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

1964 • 113 citations

Relativistic self-consistent field calculation for mercury

1957 • 106 citations

Molecular SCF Calculations on PH3, PO, PO−, and P2

1967 • 92 citations

Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4

1967 • 82 citations

A self-consistent field for methane and its applications

1941 • 76 citations

Relativistic Self-Consistent Fields with Exchange

1967 • 76 citations

SCF-MO's and Molecular Properties of Methane

1968 • 65 citations

The Isotope Displacement in Hyperfine Structure

1932 • 62 citations

Molecular orbital wave functions for methane and silane

1956 • 50 citations

Heats of Reaction from Hartree—Fock Energies of Closed-Shell Molecules

1967 • 46 citations

One‐Center Expansion Self‐Consistent Field Molecular Orbital Electronic Wave Functions for XH_n Molecules

1962 • 44 citations

Simple one-centre calculation of breathing force constants and equilibrium internuclear distances for NH₃, H₂O and HF

1963 • 41 citations

Analytical Wave Functions for Methane and the Ammonium Ion

1953 • 38 citations

Wave functions for the methane molecule

1958 • 35 citations

Self-Consistent Field Calculation of the Ground State of Methane

1964 • 27 citations

Single-Center Expansions of Molecular Electronic Wavefunctions

1967 • 27 citations

A one-centre S.C.F. wave function for the methane molecule

1961 • 26 citations

Relativistic effects in many electron hyperfine structure II. Relativistic quadrupole interaction in manganese

1965 • 23 citations

Convergent S. C. F. Wave Function and Properties of the Ammonia Molecule

1965 • 16 citations

One-Center Perturbation Approach to Molecular Electronic Energies. IV. Ten-Electron Molecules of Type MHk

1968 • 9 citations

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