Time-Dependent Density Functional Theory

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Marques, Miguel A.L (Επιμελητής έκδοσης), Ullrich, Carsten A. (Επιμελητής έκδοσης), Nogueira, Fernando (Επιμελητής έκδοσης), Rubio, Angel (Επιμελητής έκδοσης), Burke, Kieron (Επιμελητής έκδοσης), Gross, Eberhard K. U. (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg, 2006.
• Σειρά: Lecture Notes in Physics, 706
• Θέματα: Physics.; Chemistry, Physical and theoretical.; Quantum physics.; Materials science.; Theoretical, Mathematical and Computational Physics.; Quantum Physics.; Theoretical and Computational Chemistry.; Materials Science, general.

Time-dependent density functional theory (TDDFT) is based on a set of ideas and theorems quite distinct from those governing ground-state DFT, but emphasizing similar techniques. Today, the use of TDDFT is rapidly growing in many areas of physics, chemistry and materials sciences where direct soluti...

Πίνακας περιεχομένων:

• Basics
• Basics
• Formal Theory
• Beyond the Runge-Gross Theorem
• to the Keldysh Formalism
• Initial-State Dependence and Memory
• Current Density Functional Theory
• Multicomponent Density-Functional Theory
• Intermolecular Forces and Generalized Response Functions in Liouville Space
• Approximate Functionals
• Time-Dependent Deformation Approximation
• Exact-Exchange Methods and Perturbation Theory along the Adiabatic Connection
• Approximate Functionals from Many-Body Perturbation Theory
• Exact Conditions
• Numerical Aspects
• Propagators for the Time-Dependent Kohn-Sham Equations
• Solution of the Linear-Response Equations in a Basis Set
• Excited-State Dynamics in Finite Systems and Biomolecules
• Time Versus Frequency Space Techniques
• Applications: Linear Response
• Linear-Response Time-Dependent Density Functional Theory for Open-Shell Molecules
• Atoms and Clusters
• Semiconductor Nanostructures
• Solids from Time-Dependent Current DFT
• Optical Properties of Solids and Nanostructures from a Many-Body f xc Kernel
• Linear Response Calculations for Polymers
• Biochromophores
• Excited States and Photochemistry
• Applications: Beyond Linear Response
• Atoms and Molecules in Strong Laser Fields
• Highlights and Challenges in Strong-Field Atomic and Molecular Processes
• Cluster Dynamics in Strong Laser Fields
• Excited-State Dynamics in Extended Systems
• New Frontiers
• Back to the Ground-State: Electron Gas
• The Exchange-Correlation Potential in the Adiabatic-Connection Fluctuation-Dissipation Framework
• Dispersion (Van Der Waals) Forces and TDDFT
• Kohn-Sham Master Equation Approach to Transport Through Single Molecules
• Time-Dependent Transport Through Single Molecules: Nonequilibrium Green’s Functions
• Scattering Amplitudes.