Generic Galilean-invariant exchange-correlation functionals with quantum memory

被引:23
作者
Kurzweil, Y
Baer, R [1 ]
机构
[1] Hebrew Univ Jerusalem, Dept Phys Chem, IL-91904 Jerusalem, Israel
[2] Hebrew Univ Jerusalem, Lise Meitner Ctr Quantum Chem, IL-91904 Jerusalem, Israel
来源
PHYSICAL REVIEW B | 2005年 / 72卷 / 03期
关键词
D O I
10.1103/PhysRevB.72.035106
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
引用
收藏
页数:5
相关论文
共 17 条