Experimental and theoretical investigation of the photoionization of hydrogen cyanide

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.4K citations

Extended Basis Set, Engineering, Theoretical Inorganic Chemistry +23

A Simplification of the Hartree-Fock Method

J. C. Slater · Physical Review · 1951 · 4.5K citations

Numerical Analysis, Engineering, Electron Diffraction +18

Determination of Molecular Structures from Ground State Rotational Constants

C. C. Costain · The Journal of Chemical Physics · 1958 · 996 citations

Methyl Group, Physics, Theoretical Inorganic Chemistry +12

Electron-molecule scattering and molecular photoionization using the multiple-scattering method

Dan Dill, J. L. Dehmer · The Journal of Chemical Physics · 1974 · 544 citations

Excited State Property, Electron-molecule Scattering, Elastic Scattering +15

Atomic Energy Levels for the Thomas-Fermi and Thomas-Fermi-Dirac Potential

Richard Latter · Physical Review · 1955 · 503 citations

Spectral Theory, Quantum Science, Odinger Equation +15