Physics – Condensed Matter – Materials Science
Scientific paper
2001-01-24
Physics
Condensed Matter
Materials Science
1 figure, 1 table
Scientific paper
10.1103/PhysRevLett.87.087402
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 response.
Chang Eric K.
Ismail-Beigi Sohrab
Louie Steven G.
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