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Orbital-free embedding effective potential in analytically solvable cases

Publié dansProgress in theoretical chemistry and physics, vol. 19, no. V, p. 311-326
Date de publication2009
Résumé

The effective embedding potential introduced by Wesolowski and Warshel [J. Phys. Chem., 97 (1993) 8050] depends on two electron densities: that of the environment (n B ) and that of the investigated embedded subsystem (n A ). In this work, we analyze this potential for pairs n A and n B, for which it can be obtained analytically. The obtained potentials are used to illustrate the challenges in taking into account the Pauli exclusion principle.

Citation (format ISO)
SAVIN, Andreas, WESOLOWSKI, Tomasz Adam. Orbital-free embedding effective potential in analytically solvable cases. In: Progress in theoretical chemistry and physics, 2009, vol. 19, n° V, p. 311–326. doi: 10.1007/978-90-481-2596-8_15
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ISSN du journal1567-7354
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Création12/04/2011 13:45:00
Première validation12/04/2011 13:45:00
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