Mathematical methods in quantum chemistry. An introduction

DOI10.1007/3-540-37661-5zbMath1167.81001OpenAlexW1559952918MaRDI QIDQ2491951

Eric Cancès, Yvon Maday, Claude Le Bris

Publication date: 31 May 2006

Published in: Mathématiques \& Applications (Berlin) (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/3-540-37661-5

zbMATH Keywords

Schrödinger equationquantum mechanicsspindensity functional theoryThomas-Fermi modelquantum chemistryatomsHölder inequalitymoleculessolidsHardy inequalityHartree-Fock methodmany-electron systemsSlater determinantEuler-Lagrange equations of motion\(N\)-representability problemAufbau principleFermi-Amaldi correction termKohn-Sham self-consistent field approachmany-body variational principleMøller-Plesset perturbation methodRoothaan methodSobolev-Gagliardo-Nirenberg inequalityThomas-Fermi-von Weizsäcker model

Mathematics Subject Classification ID

Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Computational methods for problems pertaining to quantum theory (81-08) Perturbation theories for operators and differential equations in quantum theory (81Q15) Atomic physics (81V45) Many-body theory; quantum Hall effect (81V70) Quantum equilibrium statistical mechanics (general) (82B10) Chemical kinetics in thermodynamics and heat transfer (80A30) Molecular physics (81V55) Statistical thermodynamics (82B30) Introductory exposition (textbooks, tutorial papers, etc.) pertaining to quantum theory (81-01)

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