Introduction to first-principle simulation of molecular systems

DOI10.1007/978-3-319-49631-3_2MaRDI QIDQ4637192zbMATH OpenOpenAlexFDO

Authors É. Cancès

Publication date 18 April 2018

Published in Computational Mathematics, Numerical Analysis and Applications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-319-49631-3_2

Mathematics Subject Classification ID

Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) PDEs in connection with quantum mechanics (35Q40) NLS equations (nonlinear Schrödinger equations) (35Q55) Optimality conditions for problems involving partial differential equations (49K20) Many-body theory; quantum Hall effect (81V70) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Existence of solutions for minimax problems (49J35)

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Cited in

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• Multi-scale Molecular Modeling of Chemical Reactivity
• Machine learning meets quantum physics
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