NASA NTRS · 19920000593
Tables Of Gaussian-Type Orbital Basis Functions
Abstract
NASA technical memorandum contains tables of estimated Hartree-Fock wave functions for atoms lithium through neon and potassium through krypton. Sets contain optimized Gaussian-type orbital exponents and coefficients, and near Hartree-Fock quality. Orbital exponents optimized by minimizing restricted Hartree-Fock energy via scaled Newton-Raphson scheme in which Hessian evaluated numerically by use of analytically determined gradients.
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Partridge, Harry. 1992-10-01. Tables Of Gaussian-Type Orbital Basis Functions. https://ntrs.nasa.gov/citations/19920000593
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