A theoretical investigation of time-dependent Kohn-Sham equations: new proofs
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Existence problems for PDEs: global existence, local existence, non-existence (35A01) Uniqueness problems for PDEs: global uniqueness, local uniqueness, non-uniqueness (35A02) Smoothness and regularity of solutions to PDEs (35B65) Nonlinear parabolic equations (35K55) Time-dependent Schrödinger equations and Dirac equations (35Q41) NLS equations (nonlinear Schrödinger equations) (35Q55) General mathematical topics and methods in quantum theory (81Q99) Computational density functional analysis in statistical mechanics (82M36)
Abstract: In this paper, a new analysis for existence, uniqueness, and regularity of solutions to a time-dependent Kohn-Sham equation is presented. The Kohn-Sham equation is a nonlinear integral Schroedinger equation that is of great importance in many applications in physics and computational chemistry. To deal with the time-dependent, nonlinear and non-local potentials of the Kohn-Sham equation, the analysis presented in this manuscript makes use of energy estimates, fixed-point arguments, regularization techniques, and direct estimates of the non-local potential terms. The assumptions considered for the time-dependent and nonlinear potentials make the obtained theoretical results suitable to be used also in an optimal control framework.
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Cited in
(9)- Long-time behaviour of time-dependent density functional theory
- Time dependent closed quantum systems: nonlinear Kohn-Sham potential operators and weak solutions
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