TY - JOUR

T1 - Generic Galilean-invariant exchange-correlation functionals with quantum memory

AU - Kurzweil, Yair

AU - Baer, Roi

PY - 2005/7/15

Y1 - 2005/7/15

N2 - Today, most applications of time-dependent density-functional theory use adiabatic exchange-correlation (XC) potentials that do not take into account nonlocal temporal effects. Incorporating such "memory" terms into XC potentials is complicated by the constraint that the derived force and torque densities must integrate to zero at every instance. This requirement can be met by deriving the potentials from an XC action that is both rotationally and translationally invariant, i.e., Galilean invariant (GI). We develop a class of simple but flexible forms for an action that respect these constraints. The basic idea is to formulate the action in terms of the Eularian-Lagrangian transformation metric tensor, which is itself GI. The general form of the XC potentials in this class is then derived, and the linear response limit is derived as well.

AB - Today, most applications of time-dependent density-functional theory use adiabatic exchange-correlation (XC) potentials that do not take into account nonlocal temporal effects. Incorporating such "memory" terms into XC potentials is complicated by the constraint that the derived force and torque densities must integrate to zero at every instance. This requirement can be met by deriving the potentials from an XC action that is both rotationally and translationally invariant, i.e., Galilean invariant (GI). We develop a class of simple but flexible forms for an action that respect these constraints. The basic idea is to formulate the action in terms of the Eularian-Lagrangian transformation metric tensor, which is itself GI. The general form of the XC potentials in this class is then derived, and the linear response limit is derived as well.

UR - http://www.scopus.com/inward/record.url?scp=33749159126&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.72.035106

DO - 10.1103/PhysRevB.72.035106

M3 - Article

AN - SCOPUS:33749159126

SN - 1098-0121

VL - 72

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 3

M1 - 035106

ER -