A correlation-energy density functional for multideterminantal wavefunctions
نویسندگان
چکیده
منابع مشابه
A correlation-energy density functional for multideterminantal wavefunctions
A density functional for dynamical correlation, to be used in connection with wavefunctions of the complete-active-space self-consistent ® eld type, is described, and ® rst applications to the series of two-and four-electron atomic ions as well as to the H2 potential curve are given. 1. Introduction Density functional theory (DFT) has been very successful for both an economic and an accurate de...
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c 2006 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher mentio...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 1997
ISSN: 0026-8976,1362-3028
DOI: 10.1080/002689797171418