Coupling of nonlocal potentials to electromagnetic fields

被引:59
作者
Ismail-Beigi, S [1 ]
Chang, EK
Louie, SG
机构
[1] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA
关键词
D O I
10.1103/PhysRevLett.87.087402
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Nonlocal Hamiltonians are used widely in first-principles quantum calculations; the nonlocality stems from eliminating undesired degrees of freedom, e.g., core electrons. To date, attempts to couple nonlocal systems to external electromagnetic (EM) fields have been heuristic or limited to weak or long wavelength fields. Using Feynman path integrals, we derive an exact, closed-form coupling of arbitrary EM fields to nonlocal systems. Our results justify and clarify the couplings used to date and are essential for systematic computation of linear and especially nonlinear responses.
引用
收藏
页码:87402 / 1
页数:4
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