Time-dependent density functional theory

DOI10.1007/b11767107zbMath1110.81002MaRDI QIDQ2503438

No author found.

Publication date: 21 September 2006

Published in: Lecture Notes in Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/b11767107

zbMATH Keywords

Coulomb systems; perturbation methods; density functional theory; linear response; time-dependent density functional theory; Kohn-Sham equations; intermolecular interactions; Keldysh formalism; Runge-Gross theorem; exchange-correlation potential; one-electron density; Hohenbeng-Kohn theorem

Mathematics Subject Classification ID

81-02: Research exposition (monographs, survey articles) pertaining to quantum theory

81Q15: Perturbation theories for operators and differential equations in quantum theory

81V45: Atomic physics

81V70: Many-body theory; quantum Hall effect

81V55: Molecular physics

Related Items

A theoretical investigation of time-dependent Kohn–Sham equations: new proofs, Role of initial conditions in the dynamics of quantum glassy systems, A Theoretical Investigation of Time-Dependent Kohn--Sham Equations, A mathematical analysis of the GW0 method for computing electronic excited energies of molecules, Special issue in honor of Eberhard K.U. Gross for his 65th birthday, Quantum dissipative dynamics (QDD): a real-time real-space approach to far-off-equilibrium dynamics in finite electron systems, Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules, On the inclusion of collisional correlations in quantum dynamics, DMTDHF: a full dimensional time-dependent Hartree-Fock program for diatomic molecules in strong laser fields, Application of functional derivatives to analysis of complex systems, An \(h\)-adaptive finite element solver for the calculations of the electronic structures, Linear response approach to collective electronic excitations of solids and surfaces, Investigation of optimal control problems governed by a time-dependent Kohn-Sham model, Density functionals and model Hamiltonians: pillars of many-particle physics, On the exact treatment of time-dependent self-interaction correction, Local exchange potentials for electronic structure calculations, A COKOSNUT code for the control of the time-dependent Kohn-Sham model, Convergent iteration in Sobolev space for time dependent closed quantum systems, A quantum relaxation-time approximation for finite fermion systems, \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory, A mathematical formulation of the random phase approximation for crystals, Existence of propagators for time-dependent Coulomb-like potentials, Time dependent closed quantum systems: nonlinear Kohn-Sham potential operators and weak solutions, FELIX-1.0: a finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation, Multiscale modeling and computation of optically manipulated nano devices, Real-space density functional theory and time dependent density functional theory using finite/infinite element methods, Orbital-dependent density functionals: Theory and applications

Uses Software

• AMBER