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Half theory. II. The application of fractional spherical harmonics to chemical bonding.
- Source :
-
Journal of Mathematical Physics . Aug2018, Vol. 59 Issue 8, pN.PAG-N.PAG. 15p. 1 Diagram, 8 Graphs. - Publication Year :
- 2018
-
Abstract
- In this paper, we use fractional hydrogenic wave functions as trial functions in a variational calculation of the ground state energies of the H 2 + 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 benefit of using these fractional functions is the generation of a directional charge distribution, which may serve to orient the atoms in chemical bonds. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00222488
- Volume :
- 59
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Journal of Mathematical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 131587739
- Full Text :
- https://doi.org/10.1063/1.5017744