DOI10.1007/b11767107zbMath1110.81002OpenAlexW3211637202MaRDI QIDQ2503438
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Publication date: 21 September 2006
Published in: Lecture Notes in Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/b11767107
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Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules,
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An \(h\)-adaptive finite element solver for the calculations of the electronic structures,
Investigation of optimal control problems governed by a time-dependent Kohn-Sham model,
A Theoretical Investigation of Time-Dependent Kohn--Sham Equations,
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Existence of propagators for time-dependent Coulomb-like potentials,
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Local exchange potentials for electronic structure calculations,
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Time dependent closed quantum systems: nonlinear Kohn-Sham potential operators and weak solutions