Shape and topology optimization for maximum probability domains in quantum chemistry
DOI10.1007/S00211-022-01305-ZzbMATH Open1497.35400OpenAlexW3097594596WikidataQ114231015 ScholiaQ114231015MaRDI QIDQ2159249FDOQ2159249
Charles Dapogny, Yannick Privat, P. Frey, B. Braida, Jérémy Dalphin
Publication date: 28 July 2022
Published in: Numerische Mathematik (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s00211-022-01305-z
Existence problems for PDEs: global existence, local existence, non-existence (35A01) Uniqueness problems for PDEs: global uniqueness, local uniqueness, non-uniqueness (35A02) Asymptotic distributions of eigenvalues in context of PDEs (35P20) PDEs in connection with quantum mechanics (35Q40) NLS equations (nonlinear Schrödinger equations) (35Q55) PDEs with randomness, stochastic partial differential equations (35R60) Methods involving semicontinuity and convergence; relaxation (49J45) Optimality conditions for problems involving partial differential equations (49K20) Optimization of shapes other than minimal surfaces (49Q10) Mesh generation, refinement, and adaptive methods for the numerical solution of initial value and initial-boundary value problems involving PDEs (65M50) Observability (93B07) Relations between spectral theory and ergodic theory, e.g., quantum unique ergodicity (58J51)
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