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The Floating Spherical Gaussian Orbital Method

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Methods of Electronic Structure Theory

Part of the book series: Modern Theoretical Chemistry ((MTC,volume 3))

Abstract

One important object of molecular quantum mechanics is the calculation of the stationary state energies of molecular systems as functions of the geometrical configuration of their nuclei. By finding the energy minima one can predict the equilibrium geometric form of molecules, including internuclear distances and bond angles. The procedure implies the use of the Born-Oppenheimer approx­imation which is known to be excellent for the ground electronic state of most molecules.

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  1. Department of Chemistry, Northwestern University, Evanston, Illinois, USA

    Arthur A. Frost

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  1. Arthur A. Frost
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Editors and Affiliations

  1. University of California, Berkeley, USA

    Henry F. Schaefer III

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Frost, A.A. (1977). The Floating Spherical Gaussian Orbital Method. In: Schaefer, H.F. (eds) Methods of Electronic Structure Theory. Modern Theoretical Chemistry, vol 3. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0887-5_2

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  • DOI: https://doi.org/10.1007/978-1-4757-0887-5_2

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