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.


    Access

    Access via TIB

    Check availability in my library


    Export, share and cite



    Title :

    Tables Of Gaussian-Type Orbital Basis Functions


    Contributors:

    Published in:

    Publication date :

    1992-10-01



    Type of media :

    Miscellaneous


    Type of material :

    No indication


    Language :

    English




    Non-Gaussian Error Propagation in Orbital Mechanics

    Junkins, John L. | Online Contents | 1996


    Optical Gaussian States Carrying Orbital Angular Momentum

    Zhebrak, E. D. | British Library Online Contents | 2016


    Non-Gaussian Error Propagation in Orbital Mechanics

    Junkins, J. L. / Akella, M. R. / Alfriend, K. T. | British Library Conference Proceedings | 1996


    The Basis Functions in the Sampling-Reconstruction Procedure of Gaussian Random Fields

    Gonzalez-Lugo, Juan A. / Cammarota, Rosario / Rodriguez, Salvador et al. | IEEE | 2013