Unconventional basis sets in quantum mechanical calculations

Handbook of Mathematical Functions

1966 • 42,275 citations

`` Direct Search'' Solution of Numerical and Statistical Problems

1961 • 4,193 citations

Accurate Electronic Wave Functions for the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecule

1960 • 692 citations

Accurate Adiabatic Treatment of the Ground State of the Hydrogen Molecule

1964 • 638 citations

Elementary quantum chemistry

1968 • 500 citations

Analytical Self-Consistent Field Functions for the Atomic Configurations<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></…

1960 • 422 citations

Mathematical methods for physics and engineering

2006 • 322 citations

Simple Basis Set for Molecular Wavefunctions Containing First- and Second-Row Atoms

1964 • 245 citations

Computation of Molecular Properties and Structure

1968 • 232 citations

Helium-Atom–Hydrogen-Molecule Potential Surface Employing the LCAO–MO–SCF and CI Methods

1970 • 203 citations

Study of Two-Center Integrals Useful in Calculations on Molecular Structure. V. General Methods for Diatomic Integrals Applicable to Digital Computers

1964 • 201 citations

Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. I. Preliminary Investigations

1963 • 192 citations

Hartree—Fock Parameters for the Atoms Helium to Radon

1966 • 136 citations

Atomic Units

1959 • 85 citations

Notes on the Adaptive Simpson Quadrature Routine

1969 • 84 citations

Why Not Use Slater Orbitals of Nonintegral Principal Quantum Number?

1957 • 81 citations

Single-Center Molecular Wave Functions

1967 • 74 citations

The Computation of Wave Functions in Momentum Space - I: The Helium Atom

1949 • 64 citations

Mathematical Methods in Physics and Engineering.

1970 • 55 citations

Integral-Transform Gaussian Functions for Heliumlike Systems

1970 • 44 citations

New Approach to Electronic Structure Calculations for Diatomic Molecules: Application to F2 and Cl2

1970 • 44 citations

Intermolecular forces and properties of fluid. I. The automatic calculation of higher virial coefficients and some values of the fourth coefficient for the Lennard-Jones potential

1960 • 41 citations

Hulthén Approximations to 1s and 2p Orbitals of Atoms

1969 • 36 citations

The evaluation of definite integrals by interval subdivision

1969 • 33 citations

The evaluation of multicenter integrals by polished brute force techniques: I. Analysis, numerical methods, and computational design of the potential-charge distribution scheme

2009 • 15 citations

An integral transform trial function for helium-like systems

1970 • 13 citations

Approximate Hartree–Fock Energies of the 11S and 23S States of the Helium Atom Using Three-Parameter Orbitals Generalized from Slater and Gaussian Functions

1969 • 10 citations

Comparative Study of Ellipsoidal Gaussians: H2 and H2++

1970 • 7 citations

Fundamentals and Techniques of Mathematics for Scientists

1963 • 5 citations