Density functional theory. An advanced course.

DOI10.1007/978-3-642-14090-7zbMath1216.81004OpenAlexW4230618008MaRDI QIDQ986048

Eberhard Engel, Reiner M. Dreizler

Publication date: 11 August 2010

Published in: Theoretical and Mathematical Physics (Cham) (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-3-642-14090-7

zbMATH Keywords

relativistic density functional theoryKohn-Sham equationsexchange-correlation energy approximationsRunge-Gross theoremvirial theorems

Mathematics Subject Classification ID

Fréchet and Gateaux differentiability in optimization (49J50) Electromagnetic interaction; quantum electrodynamics (81V10) Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Atomic physics (81V45) Many-body theory; quantum Hall effect (81V70) Applications to the sciences (65Z05)

Related Items

Unconditional \(L^{\infty }\)-convergence of two compact conservative finite difference schemes for the nonlinear Schrödinger equation in multi-dimensions ⋮ On the spectral problem for trivariate functions ⋮ Complexities in modeling of heterogeneous catalytic reactions ⋮ Computational methods for the dynamics of the nonlinear Schrödinger/Gross-Pitaevskii equations ⋮ Building Kohn-Sham potentials for ground and excited states ⋮ A novel proof of the DFT formula for the interatomic force field of molecular dynamics ⋮ Molecular systems with open boundaries: theory and simulation ⋮ A COKOSNUT code for the control of the time-dependent Kohn-Sham model ⋮ Accurate relativistic density functional for exchange energy of atomic nuclei ⋮ Optimal power series expansions of the Kohn-Sham potential ⋮ Classical density functional theory: representability and universal bounds ⋮ Properties of field functionals and characterization of local functionals ⋮ Seven useful questions in density functional theory ⋮ Overview of Drude-Lorentz type models and their applications ⋮ Poisson bracket formulation of a higher-order, geometrically-exact beam ⋮ Quantum algorithm and circuit design solving the Poisson equation ⋮ Investigation of optimal control problems governed by a time-dependent Kohn-Sham model ⋮ In search of the Hohenberg-Kohn theorem ⋮ Coarse-grained spin density-functional theory: Infinite-volume limit via the hyperfinite ⋮ Electron charge density: a clue from quantum chemistry for quantum foundations ⋮ Unique continuation for many-body Schrödinger operators and the Hohenberg-Kohn theorem ⋮ Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation ⋮ The local density approximation in density functional theory ⋮ Symplectic and self-consistent algorithms for particle accelerator simulation ⋮ Covariant response theory and the boost transform of the dielectric tensor ⋮ Improved Lieb-Oxford bound on the indirect and exchange energies ⋮ A new framework for polynomial approximation to differential equations