Density functional theory with finite electric field

The method for treating finite electric fields within periodic boundary conditions is used to formally define a density functional depending on the electric field. An exchange and correlation energy functional depending on the electric field is introduced and related to the functional at zero field by a formal expansion with respect to the field. (C) 2004 Wiley Periodicals, Inc.


Published in:
International Journal of Quantum Chemistry, 101, 6, 666-670
Year:
2005
ISSN:
0020-7608
Other identifiers:
Laboratories:




 Record created 2009-10-08, last modified 2018-03-17


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