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

Handbook of Mathematical Functions

1966 • 42,275 citations

Handbook of Mathematical Functions

2018 • 9,117 citations

Matrix Iterative Analysis

1963 • 4,155 citations

Relaxation Methods in Theoretical Physics

1946 • 368 citations

Dynamics of the Collinear H+H2 Reaction. I. Probability Density and Flux

1971 • 283 citations

Relaxation Methods in Theoretical Physics

1957 • 277 citations

Algorithm for Diagonalization of Large Matrices

1965 • 178 citations

Theory of light interstitials in bcc metals. I. Self-trapped state of hydrogen and muons in Nb

1980 • 148 citations

Numerical Hartree–Fock–Slater calculations on diatomic molecules

1982 • 139 citations

A Numerical Coupled-Cluster Procedure Applied to the Closed-Shell Atoms Be and Ne

1980 • 112 citations

The partial-wave self-consistent-field method for diatomic molecules: Computational formalism and results for small molecules

1975 • 104 citations

Collision induced dissociation in collinear H+H2: Quantum mechanical probabilities using the time-dependent wavepacket approach

1978 • 102 citations

Numerical Solution of Schrödinger’s Equation

2022 • 84 citations

Use of the Statistical Field Approximation in Molecular Physics

1955 • 75 citations

Exact eigenvalues, electronic wavefunctions and their derivatives with respect to the internuclear separation for the lowest 20 states of the HeH²⁺molecule

1977 • 72 citations

Numerical Hartree–Fock calculations for N2, FH, and CO: Comparison with optimized LCAO results

1977 • 70 citations

Eigenparameters for the lowest twenty electronic states of the hydrogen molecule ion

1970 • 67 citations

Seminumerical SCF calculations on small diatomic molecules

1974 • 59 citations

Numerical Solution of the Two-Electron Schrödinger Equation

1970 • 47 citations

A numerical multiconfiguration self-consistent-field method for diatomic molecules

1981 • 46 citations

Numerical coupled hartree-fock parallel polarizabilities for FH and CO

1977 • 44 citations

Thomas—Fermi Homonuclear Diatomic Molecule. I. Method of Solution and Atomic Interaction Potential

1962 • 36 citations

One-electron wavefunctions. Accurate expectation values

1977 • 27 citations

Calculation of the Dipole Moment of the Carbon-Hydrogen Bond in Methane by the Thomas-Fermi Method

1955 • 22 citations

Numerical Hartree–Fock calculations on the first excited state of LiH−

1981 • 19 citations

Application of the Fermi-Thomas Model in Computing the Dipole Moment of Iodine Chloride

1953 • 19 citations

Electron Densities for Homonuclear Diatomic Molecules from the Thomas-Fermi-Dirac Theory

1971 • 18 citations

Acceleration of the convergence in Nesbet's algorithm for eigenvalues and eigenvectors of large matrices

1972 • 15 citations

Eigenvalues of the two-dimensional Schrodinger equation

1982 • 14 citations

Accurate Thomas–Fermi–Dirac calculations for diatomic systems

1977 • 11 citations

Thomas–Fermi–Dirac interaction potentials for rare gas systems

1977 • 8 citations