Half theory. II. The application of fractional spherical harmonics to chemical bonding

In this paper, we use fractional hydrogenic wave functions as trial functions in a variational calculation of the ground state energies of the H2+ ion and the He atom. We find improved estimates over those obtained using the standard integer angular momentum atomic trial states. We will see that a b...

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Veröffentlicht in:	Journal of mathematical physics 2018-08, Vol.59 (8)
1. Verfasser:	Bildstein, Steve
Format:	Artikel
Sprache:	eng
Schlagworte:	Angular momentum Charge distribution Chemical bonds Mathematical analysis Organic chemistry Physics Spherical harmonics Wave functions
Online-Zugang:	Volltext
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