Ismail-Beigi S, Chang E K, Louie S G
Department of Physics, University of California, Berkeley, 94720, USA.
Phys Rev Lett. 2001 Aug 20;87(8):087402. doi: 10.1103/PhysRevLett.87.087402. Epub 2001 Aug 3.
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.