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Scientific article
English

Orbital-free embedding effective potential in analytically solvable cases

Published inProgress in theoretical chemistry and physics, vol. 19, no. V, p. 311-326
Publication date2009
Abstract

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 (ISO format)
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 of the journal1567-7354
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