Passage from Quantum to Classical Molecular Dynamics in the Presence of Coulomb Interactions

DOI10.1080/03605301003657835zbMath1203.35192arXiv0907.1205OpenAlexW1997647182MaRDI QIDQ4933525

Johannes Giannoulis, Gero Friesecke, Luigi Ambrosio

Publication date: 14 October 2010

Published in: Communications in Partial Differential Equations (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/0907.1205

zbMATH Keywords

quantum dynamicsLiouville equationsingular potentialsWigner transformation

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) PDEs with low regular coefficients and/or low regular data (35R05) PDEs in connection with quantum mechanics (35Q40) Phase-space methods including Wigner distributions, etc. applied to problems in quantum mechanics (81S30) Molecular physics (81V55)

Related Items (12)

The Microscopic Origin of the Macroscopic Dielectric Permittivity of Crystals: A Mathematical Viewpoint ⋮ Well posedness of ODE's and continuity equations with nonsmooth vector fields, and applications ⋮ Wigner measures supported on weak KAM tori ⋮ On the dynamics of WKB wave functions whose phase are weak KAM solutions of H-J equation ⋮ Semiclassical regularization of Vlasov equations and wavepackets for nonlinear Schrödinger equations ⋮ Introduction to First-Principle Simulation of Molecular Systems ⋮ Global semiclassical limit from Hartree to Vlasov equation for concentrated initial data ⋮ STRONG AND WEAK SEMICLASSICAL LIMIT FOR SOME ROUGH HAMILTONIANS ⋮ Almost everywhere well-posedness of continuity equations with measure initial data ⋮ Mather measures associated with a class of Bloch wave functions ⋮ Semiclassical limit of quantum dynamics with rough potentials and well‐posedness of transport equations with measure initial data ⋮ Propagation of moments and semiclassical limit from Hartree to Vlasov equation

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