Density functional theory. A practical introduction

DOI10.1002/9780470447710MaRDI QIDQ6488009

Janice A. Steckel, David S. Sholl

Publication date: 21 March 2023

zbMATH Keywords

Schrödinger equationsdensity functional theorymolecular dynamicsmagnetismchemistry

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) NLS equations (nonlinear Schrödinger equations) (35Q55) Phase transitions (general) in equilibrium statistical mechanics (82B26) Chemically reacting flows (80A32) Atomic physics (81V45) Statistical mechanics of metals (82D35) Molecular physics (81V55) Motion of charged particles (78A35) Electro- and magnetostatics (78A30) Introductory exposition (textbooks, tutorial papers, etc.) pertaining to classical thermodynamics (80-01) Introductory exposition (textbooks, tutorial papers, etc.) pertaining to statistical mechanics (82-01) Introductory exposition (textbooks, tutorial papers, etc.) pertaining to quantum theory (81-01) Computational molecular dynamics in statistical mechanics (82M37) Computational density functional analysis in statistical mechanics (82M36)

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