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research article

Density functional theory with finite electric field

Umari, Paolo  
•
Pasquarello, Alfredo  
2005
International Journal of Quantum Chemistry

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.

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