Time-dependent density functional theory / Miguel A.L. Marques [and others].

Contributor(s): Marques, Miguel A. L
Material type: TextTextSeries: Lecture notes in physics: 706.Publisher: Berlin : Springer, ©2006Description: 1 online resource (xxxiv, 589 pages) : illustrationsContent type: text Media type: computer Carrier type: online resourceISBN: 3540354220; 9783540354222; 9783540354260; 3540354263; 1280627433; 9781280627439; 9786610627431; 6610627436Subject(s): Density functionals | Mathematical physics | Fonctionnelles densité | Physique mathématique | SCIENCE -- Chemistry -- Physical & Theoretical | Physique | Density functionals | Mathematical physicsGenre/Form: Electronic books. Additional physical formats: Print version:: Time-dependent density functional theory.DDC classification: 541/.28 LOC classification: QC20.7.D43 | T56 2006Online resources: Click here to access online
Contents:
Basics / E.K.U. Gross and K. Burke -- pt. 1. Formal theory -- Beyond the Runge-Gross Theorem / R. van Leeuwen -- Introduction to the keldysh formalism / R. van Leeuwen [and others] -- Initial-state dependence and memory / N.T. Maitra -- Current density functional theory / G. Vignale -- Multicomponent density-functional theory / R. van Leeuwen and E.K.U. Gross -- Intermolecular forces and generalized response functions in Liouville space / S. Mukamel, A.E. Cohen, and U. Harbola -- pt. 2. Approximate functionals -- Time-dependent deformation approximation / I.V. Tokatly -- Exact-exchange methods and perturbation theory along the adiabatic connection / A. Görling -- Approximate functionals from many-body perturbation theory / A. Marini, R. Del Sole, and A. Rubio -- Exact conditions / K. Burke -- pt. 3. Numerical aspects -- Propagators for the time-dependent Kohn-Sham equations / A. Castro and M.A.L. Marques -- Solution of the linear-response equations in a basic set / P.L. de Boeij -- Excited-state dynamics in finite systems and biomolecules / J. Hutter -- Time versus frequency space techniques / M.L.A. Marques and A. Rubio -- pt. 4. Applications: linear response -- Linear-response time-dependent density functional theory for open-shell molecules / M.E. Casida, A. Ipatov, and F. Cordova -- Atoms and clusters / J.R. Chelikowsky, Y. Saad and I. Vasiliev -- Semiconductor Nanostructures / C.A. Ullrich -- Solids from time-dependent current DFT / P.L. de Boeij -- Optical properties of solids and nanostructures from a many-body fxc kernel / A. Marini, R. Del Sole, and A. Rubio -- Biochromophores / X. Lopez and M.A.L. Marques -- Excited states and photochemistry / D. Rappoport and F. Furche -- pt. 5. Applications: beyond linear response -- Atoms and molecules in strong laser fields / C.A. Ullrich and A.D. Bandrauk -- Highlights and challenges in strong-field atomic and molecular processes / V. Véniard -- Cluster dynamics in strong laser fields / P.-G. Reinhard and E. Suraud -- Excited-state dynamics in extended systems / O. Sugino and Y. Miyamoto -- pt. 6. New frontiers -- Back to the ground-state: electron gas / M. Lein and E.K.U. Gross -- The exchange-correlation potential in the adiabatic-connection fluctuation-dissipation framework / Y.M. Niquet and M. Fuchs -- Dispersion (van der waals) forces and TDDFT / J.F. Dobson --Kohn-Sham master equation approach to transport through single molecules / R. Gebauer, K. Burke, and R. Car -- Time-dependent transport through single molecules: nonequilibrium green's functions / G. Stefanucci [and others] -- Scattering amplitudes / A. Wasserman and K. Burke.
Summary: 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 solution of the Schrödinger equation is too demanding. This is the first comprehensive, textbook-style introduction to the relevant basics and techniques.
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Includes bibliographical references and index.

Basics / E.K.U. Gross and K. Burke -- pt. 1. Formal theory -- Beyond the Runge-Gross Theorem / R. van Leeuwen -- Introduction to the keldysh formalism / R. van Leeuwen [and others] -- Initial-state dependence and memory / N.T. Maitra -- Current density functional theory / G. Vignale -- Multicomponent density-functional theory / R. van Leeuwen and E.K.U. Gross -- Intermolecular forces and generalized response functions in Liouville space / S. Mukamel, A.E. Cohen, and U. Harbola -- pt. 2. Approximate functionals -- Time-dependent deformation approximation / I.V. Tokatly -- Exact-exchange methods and perturbation theory along the adiabatic connection / A. Görling -- Approximate functionals from many-body perturbation theory / A. Marini, R. Del Sole, and A. Rubio -- Exact conditions / K. Burke -- pt. 3. Numerical aspects -- Propagators for the time-dependent Kohn-Sham equations / A. Castro and M.A.L. Marques -- Solution of the linear-response equations in a basic set / P.L. de Boeij -- Excited-state dynamics in finite systems and biomolecules / J. Hutter -- Time versus frequency space techniques / M.L.A. Marques and A. Rubio -- pt. 4. Applications: linear response -- Linear-response time-dependent density functional theory for open-shell molecules / M.E. Casida, A. Ipatov, and F. Cordova -- Atoms and clusters / J.R. Chelikowsky, Y. Saad and I. Vasiliev -- Semiconductor Nanostructures / C.A. Ullrich -- Solids from time-dependent current DFT / P.L. de Boeij -- Optical properties of solids and nanostructures from a many-body fxc kernel / A. Marini, R. Del Sole, and A. Rubio -- Biochromophores / X. Lopez and M.A.L. Marques -- Excited states and photochemistry / D. Rappoport and F. Furche -- pt. 5. Applications: beyond linear response -- Atoms and molecules in strong laser fields / C.A. Ullrich and A.D. Bandrauk -- Highlights and challenges in strong-field atomic and molecular processes / V. Véniard -- Cluster dynamics in strong laser fields / P.-G. Reinhard and E. Suraud -- Excited-state dynamics in extended systems / O. Sugino and Y. Miyamoto -- pt. 6. New frontiers -- Back to the ground-state: electron gas / M. Lein and E.K.U. Gross -- The exchange-correlation potential in the adiabatic-connection fluctuation-dissipation framework / Y.M. Niquet and M. Fuchs -- Dispersion (van der waals) forces and TDDFT / J.F. Dobson --Kohn-Sham master equation approach to transport through single molecules / R. Gebauer, K. Burke, and R. Car -- Time-dependent transport through single molecules: nonequilibrium green's functions / G. Stefanucci [and others] -- Scattering amplitudes / A. Wasserman and K. Burke.

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 solution of the Schrödinger equation is too demanding. This is the first comprehensive, textbook-style introduction to the relevant basics and techniques.

English.

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