Density functional theory. A practical introduction

DOI10.1002/9780470447710MaRDI QIDQ6488009zbMATH OpenFDO

Authors David S. Sholl, Janice A. Steckel

Publication date 21 March 2023

Full work available at URL https://doi.org/10.1002/9780470447710

zbMATH Keywords

chemistrydensity functional theorymagnetismmolecular dynamicsSchrödinger equations

Mathematics Subject Classification ID

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

Recommendations

• Density functional theory. A practical introduction
• Density functional theory. An advanced course.
• Density functional theory in quantum chemistry
• A Tutorial on Density Functional Theory
• Electronic Structure

Cited in

(14)

• Complexities in modeling of heterogeneous catalytic reactions
• A Safari Through Density Functional Theory
• A mathematical perspective on density functional perturbation theory
• scientific article; zbMATH DE number 5652362 (Why is no real title available?)
• Density Functional Theories and Self-energy Approaches
• Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory
• Density functional theory. A practical introduction
• Electronic Structure
• Density Functional Theory
• \texttt{OpenSANS}: a \underline{S}emi-\underline{a}nalytical solver for \underline{N}onlocal plasmonic\underline{S}
• Time-dependent generalized Kohn-Sham theory
• QMMM 2023: a program for combined quantum mechanical and molecular mechanical modeling and simulations
• Developments in the applications of density functional theory to fractional quantum Hall systems
• Density functionals and model Hamiltonians: pillars of many-particle physics

This page was built for publication: Density functional theory. A practical introduction

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6488009)