Time-Dependent Density Functional Theory

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...

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Autor principal: Marques, Miguel A. L.
Otros Autores: Gross, Eberhard K. U, 1953-...., physicien (Director de publicación), Nogueira, Fernando, physicien (Director de publicación), Ullrich, Carsten A. (Director de publicación), Rubio, Angel (Director de publicación), Burke, Kieron (Director de publicación)
Formato: Livre numérique
Lenguaje:Anglais
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg [20..].
Cham : Springer Nature
Edición:1st ed. 2006.
Colección:Lecture Notes in Physics 706
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Nota: Archives Springer e-books (Licence nationale)
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Autres localisations: Voir dans le Sudoc
Edition sous un autre format:• Time-dependent density functional theory, edited by Miguel A.L. Marques, Carsten A. Ullrich, Fernando Nogueira,... [et al.], 2006, Berlin, Springer, 1 vol. (XXXIV-589 p.), Lecture notes in physics, 3-540-35422-0
• Time-Dependent Density Functional Theory, Texte imprimé, 9783540825692
• Time-Dependent Density Functional Theory, Texte imprimé, 9783642071287
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505 1 |a 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 
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650 |a Théorie quantique 
650 |a Théorie de la fonctionnelle de densité 
650 |a Chimie physique et théorique 
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