The calculation of exchange forces : general results and specific models

In order to clarify questions about the calculation of the exchange energy of a homonuclear molecular ion, an analysis is carried out of a model problem consisting of the one-dimensional limit of H2+. It is demonstrated that the use of the infinite polarization expansion for the localized wave funct...

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Veröffentlicht in:	The Journal of chemical physics 1993-08, Vol.99 (4), p.2841-2854
Hauptverfasser:	SCOTT, T. C, BABB, J. F, DALGARNO, A, MORGAN, J. D
Format:	Artikel
Sprache:	eng
Schlagworte:	ATOMIC AND MOLECULAR PHYSICS Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) CATIONS CHARGED PARTICLES DISTANCE ELECTRICAL PROPERTIES Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology EXCHANGE INTERACTIONS FUNCTIONS HYDROGEN IONS INTERACTIONS INTERATOMIC DISTANCES IONS MOLECULAR IONS ONE-DIMENSIONAL CALCULATIONS PHYSICAL PROPERTIES 664100 > Theory of Electronic Structure of Atoms & Molecules-- (1992-) Physics POLARIZABILITY POTENTIALS SERIES EXPANSION WAVE FUNCTIONS
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