Pubbl/distr/stampa	Dordrecht...[etc.] : D. Reidel Publishing Company, c1985
Descrizione fisica	XI, 284 p. ; 25 cm.
Disciplina	541.28 530.41
Collana	Physics and chemistry of materials with low-dimensional structures, Serie B, Quasi-one-dimensional materials
Soggetto topico	Chimica quantistica
ISBN	90-277-1927-6
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Record Nr.	UNIBAS-000012513

Autore	MARQUES, Miguel A.L.
Pubbl/distr/stampa	Berlin [etc.] : Springer, c2006
Descrizione fisica	XXIV, 589 p. : ill. ; 24 cm.
Disciplina	541.28
Collana	Lecture notes in physics
Soggetto topico	Chimica Fisica Teoria Quantica Fisica Matematica
ISBN	3-540-35422-0
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Record Nr.	UNISA-990002970060203316

Autore	Marques Miguel A. L.
Edizione	[1st ed. 2006.]
Pubbl/distr/stampa	Berlin ; ; Heidelberg : , : Springer-Verlag, , [2006]
Descrizione fisica	1 online resource (602 p.)
Disciplina	541.28
Collana	Lecture Notes in Physics
Soggetto topico	Density functionals Mathematical physics
ISBN	1-280-62743-3 9786610627431 3-540-35426-3
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	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.
Record Nr.	UNINA-9910146576003321

Autore	Ullrich Carsten
Pubbl/distr/stampa	Oxford, : Oxford University Press, c2012
Descrizione fisica	1 online resource (541 p.)
Disciplina	541.28
Collana	Oxford graduate texts
Soggetto topico	Density functionals Mathematical physics
Soggetto genere / forma	Electronic books.
ISBN	0-19-884193-0 1-283-42682-X 0-19-162691-0 9786613426826
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	Cover; Contents; List of abbreviations; 1 Introduction; 1.1 A survey of time-dependent phenomena; 1.2 Preview of and guide to this book; 2 Review of ground-state density-functional theory; 2.1 The formal framework of DFT; 2.2 Exact properties; 2.3 Approximate functionals; PART I: THE BASIC FORMALISM OF TDDFT; 3 Fundamental existence theorems; 3.1 Time-dependent many-body systems; 3.2 The Runge-Gross theorem; 3.3 The van Leeuwen theorem; 4 The time-dependent Kohn-Sham scheme; 4.1 The time-dependent Kohn-Sham equation; 4.2 Spin-dependent systems; 4.3 The adiabatic approximation 4.4 The meaning of self-consistency in DFT and TDDFT4.5 Numerical time propagation; 5 Time-dependent observables; 5.1 Explicit density functionals; 5.2 Implicit density functionals; 5.3 The time-dependent energy; 6 Properties of the time-dependent xc potential; 6.1 What is the universal xc functional?; 6.2 Some exact conditions; 6.3 Galilean invariance and the harmonic potential theorem; 6.4 Memory and causality; 6.5 Initial-state dependence; 6.6 Time-dependent variational principles; 6.7 Discontinuity upon change of particle number; PART II: LINEAR RESPONSE AND EXCITATION ENERGIES 7 The formal framework of linear-response TDDFT7.1 General linear-response theory; 7.2 Spectroscopic observables; 7.3 Linear density response in TDDFT; 7.4 Warm-up exercise: TDDFT for two-level systems; 7.5 Calculation of excitation energies: the Casida equation; 7.6 The Tamm-Dancoff approximation and other simplifications; 7.7 Excitation energies with time-dependent Hartree-Fock theory; 8 The frequency-dependent xc kernel; 8.1 Exact properties; 8.2 Approximations; 8.3 The xc kernels of the homogeneous electron liquid; 9 Applications to atomic and molecular systems 9.1 Excitation energies of small systems: basic trends and features9.2 Molecular excited-state properties with TDDFT: an overview; 9.3 Double excitations; 9.4 Charge-transfer excitations; 9.5 The Sternheimer equation; 9.6 Optical spectra via time propagation schemes; PART III: FURTHER DEVELOPMENTS; 10 Time-dependent current-DFT; 10.1 The adiabatic approximation and beyond; 10.2 The failure of nonadiabatic local approximations in TDDFT; 10.3 The formal framework of TDCDFT; 10.4 The VK functional; 10.5 Applications of TDCDFT in the linear-response regime 10.6 Memory effects: elasticity and dissipation11 The time-dependent optimized effective potential; 11.1 The static OEP approach for orbital functionals; 11.2 The TDOEP scheme; 11.3 TDOEP in the linear regime; 12 Extended systems; 12.1 Electronic structure and excitations of periodic solids; 12.2 Spectroscopy of density fluctuations: plasmons; 12.3 Optical absorption and excitons; 12.4 TDCDFT in periodic systems; 13 TDDFT and many-body theory; 13.1 Perturbation theory along the adiabatic connection; 13.2 Nonequilibrium Green's functions and the Keldysh action 13.3 xc kernels from many-body theory
Record Nr.	UNINA-9910465114903321

Autore	PIELA, Lucjan
Edizione	[3. ed.]
Pubbl/distr/stampa	Amsterdam, : Elsevier, 2020
Descrizione fisica	XXXII, 736 p. : ill. ; 23 cm
Disciplina	541.28
Soggetto topico	Anatomia
ISBN	978-0-444-64246-2 (v. 1)
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	ita
Record Nr.	UNISA-996363650003316