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  • 1
    Book
    Book
    Attosecond and XUV physics : ultrafast dynamics and spectroscopy (2014)
    Weinheim : Wiley-VCH
    Details
    UID:
    (DE-101)1034510878
    Format: XVI, 607 S. , Ill., graph. Darst. , 25 cm
    ISBN: 9783527411245 , 3527411240
    Note: Literaturangaben
    Additional Edition: Online-Ausg. Attosecond and XUV Physics Weinheim : Wiley-VCH, 2013
    Language: English
    Keywords: Freie-Elektronen-Laser ; Kurzzeitphysik ; Attosekundenbereich ; Aufsatzsammlung ; Aufsatzsammlung ; Aufsatzsammlung
    URL: Inhaltsverzeichnis
    URL: Inhaltstext
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    DNB
  • 2
    Book
    Book
    Attosecond molecular dynamics (2018)
    London : Royal Society of Chemistry
    Details
    UID:
    (DE-605)HT019860487
    Format: xii, 500 Seiten , Illustrationen
    ISBN: 9781782629955
    Series Statement: Theoretical and computational chemistry series 13
    Additional Edition: Erscheint auch als Online-Ausgabe, PDF 978-1-78801-266-9
    Additional Edition: Erscheint auch als Online-Ausgabe, ePub 978-1-78801-513-4
    Language: English
    Keywords: Aufsatzsammlung
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    HBZ
  • 3
    Online Resource
    Online Resource
    Attosecond Molecular Dynamics (2018)
    Cambridge : Royal Society of Chemistry
    Details
    UID:
    (DE-627)1030974292
    Format: 1 Online-Ressource (513 pages)
    Edition: 1st ed
    ISBN: 9781788012669
    Series Statement: Theoretical and Computational Chemistry Series
    Content: A valuable reference work for anyone working in the field of attosecond science as well as those studying the subject
    Content: Front Cover -- Attosecond Molecular Dynamics -- Contents -- Chapter 1 Introduction -- 1.1 Introduction -- 1.2 State-of-the-art of Molecular Attosecond Experiments -- 1.2.1 Electron Localization Following Attosecond Molecular Photoionization -- 1.2.2 Increasing the Complexity of the Molecule: N2 -- 1.2.3 The Next Level of Complexity: Polyatomic Molecules -- 1.3 Contents of this Book -- References -- Chapter 2 Low-dimensional Models for Simulating Attosecond Processes in Atoms and Molecules -- 2.1 Introduction -- 2.2 Electron Dynamics in Strong Fields -- 2.2.1 Single Active Electron 1d Models -- 2.2.2 Emission Times in High Harmonic Generation -- 2.2.3 Short and Long Trajectories in Harmonic Generation: Quantum Path Interferences -- 2.2.4 Structural Minima in Harmonic Spectra from Molecules -- 2.2.5 Pros and Cons of 1d Models -- 2.3 Accounting for the Nuclear Motion -- 2.3.1 1d 1d Vibronic Model -- 2.3.2 Dynamics of Molecular Photoionisation -- 2.3.3 Influence of Nuclear Motion on High Harmonic Generation in Molecules -- 2.4 Conclusion -- References -- Chapter 3 First-principles Many-electron Dynamics Using the B-spline Algebraic Diagrammatic Construction Approach -- 3.1 Theoretical Method: Time-dependent B-spline ADC -- 3.1.1 Intermediate State Representation Approach to ADC Ab Initio Schemes -- 3.1.2 B-spline Basis Set -- 3.1.3 Computational Procedure -- 3.1.4 Time Propagation -- 3.2 Results and Discussion -- 3.2.1 Atomic Photoionisation Cross Sections by Combination of B-spline-ADC and Stieltjes Methods -- 3.2.2 ADC(1) High Harmonic Generation Spectra of Ar Atom and Aligned CO2 Molecules -- 3.2.3 Attosecond Transient Absorption Spectroscopy Calculation in a He Atom -- 3.3 Conclusions -- References -- Chapter 4 Ultrafast Electron Dynamics as a Route to Explore Chemical Processes -- 4.1 Problem Overview
    Content: 4.1.1 Chemistry as Dynamics of Quantum Particles -- 4.1.2 Molecular States and Born-Oppenheimer Approximation -- 4.1.3 Describing Correlated Electrons -- 4.2 Correlated Electron Dynamics Following Ionization -- 4.2.1 The Hole Density -- 4.2.2 Choice of Cationic Basis and Initial State -- 4.2.3 Basic Mechanisms -- 4.3 Attochemistry -- 1 Dyson ADC -- 2 Non-Dyson ADC -- References -- Chapter 5 Time-dependent Multiconfigurational Theories of Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields -- 5.1 Introduction -- 5.2 Multiconfiguration Time-dependent Hartree-Fock Theory -- 5.2.1 EOMs for the Spin-orbitals -- 5.2.2 The EOMs for CI Coefficients -- 5.2.3 Time-dependent Natural Orbitals -- 5.2.3.1 Definition of Instantaneous Natural Spin-orbitals -- 5.2.3.2 EOMs for Time-dependent Natural Spin-orbitals -- 5.3 Nuclear Dynamics of Molecules in Intense Near-infrared Fields: Time-Dependent Adiabatic State Approach -- 5.4 Extension of MCTDHF to Treat Molecular Dynamics -- 5.5 Results and Discussion -- 5.5.1 Application of MCTDHF to Anisotropic Ionization of CO -- 5.5.1.1 Ionization -- 5.5.1.2 Effective Potential -- 5.5.2 Application of the Basic Concept of the Time-dependent Adiabatic state Approach to H2+ -- 5.5.3 Application to an Ethanol Molecule in an Intense Laser Field -- 5.5.4 Protonic Structure in CH3OH -- 5.5.5 Comparison With Born-Huang Expansion for the Ground-state Wave Function of a One-dimensional H2 Model -- 5.6 Conclusions -- References -- Chapter 6 Light-induced Conical Intersections -- 6.1 Introduction -- 6.2 Theory -- 6.2.1 The Hamiltonian -- 6.2.2 Nuclear Wave Packet Propagation and Dynamical Properties -- 6.3 Results and Discussions -- 6.3.1 Nuclear Wave Packet Quantum Interference -- 6.3.2 Direct Signature of the Light-induced Conical Intersection
    Content: 6.3.3 A Quantum Control Strategy Using Light-induced Conical Intersections -- 6.3.4 Competition of Intrinsic and Light-induced Nonadiabatic Phenomena -- 6.4 Conclusions -- References -- Chapter 7 Theoretical Methodsfor Attosecond Coupled Electron-nuclear DynamicsIn Molecular Photoionization -- 7.1 Introduction -- 7.2 General Theoretical Background to Describe Ultrafast Dynamics in Molecular Photoionization -- 7.2.1 Time-dependent Schrödinger Equation -- 7.2.2 Electronic Continuum States -- 7.2.2.1 The Single Channel Approximation -- 7.2.2.2 Beyond the Single-channel Approximation -- 7.2.2.3 Evaluation of Continuum Orbitals -- 7.3 Theory for the Simplest One- and Two-electron Molecules H2+ and H2 -- 7.3.1 One-electron Diatomic Molecule: H2+ -- 7.3.2 Two-electron Diatomic Molecule: H2 -- 7.3.3 The Time Dependent Feshbach Close-coupling Method for H2 -- 7.3.3.1 Bound States and Resonance States in QQQQ Subspace. -- 7.3.3.2 Continuum States in PPPP Subspace. -- 7.3.4 Nuclear Motion -- 7.3.5 Relation with H2 Experiments -- 7.4 Results from Full Dimensional Ab Initio Approaches (Hydrogenic Molecules) -- 7.4.1 One-electron Diatomic Molecules -- 7.4.2 Hydrogen Molecule -- 7.4.2.1 Rabi Oscillations -- 7.5 Beyond H2: Electron Dynamics in More Complex Diatomic Molecules -- 7.6 Ultrafast Dynamics in Larger Molecules -- 7.7 Conclusions -- References -- Chapter 8 How Nuclear Motion Affects Coherent Electron Dynamics in Molecules -- 8.1 Introduction -- 8.2 Theoretical Methods -- 8.2.1 Ehrenfest Method -- 8.2.2 DD-vMCG Method -- 8.3 Implementation Details -- 8.3.1 Implementation of the Ehrenfest Method -- 8.3.2 Implementation of the DD-vMCG Method -- 8.4 Applications -- 8.4.1 Effect of (Mean-field) Nuclear Motion -- 8.4.2 Effect of Nuclear Spatial Delocalization -- 8.4.3 Effect of Quantum Nuclear Motion -- 8.4.4 Design of Molecular Targets for Longer-lived Coherence
    Content: 8.5 Conclusion -- References -- Chapter 9 Attophotochemistry: Coherent Electronic Dynamics and Nuclear Motion -- 9.1 The Basics -- 9.2 The Grid -- 9.3 Mass Effects -- 9.4 Short Time Nuclear Dynamics -- 9.5 Computing on the Fly -- 9.6 Illustrative Examples -- 9.6.1 Steering of Selective Dissociation in LiH -- 9.6.2 LiH Computed on the Fly -- 9.7 Excitation of N2 in the Far UV -- 9.8 Dissociation Dynamics in HCN and DCN -- 9.9 Concluding Remarks -- References -- Chapter 10 General Trajectory Surface Hopping Method for Ultrafast Nonadiabatic Dynamics -- 10.1 Introduction -- 10.2 Electronic State Representations -- 10.3 Nonadiabatic Dynamics: SHARC -- 10.3.1 From Quantum Dynamics to Molecular Dynamics -- 10.3.2 From Born-Oppenheimer Molecular Dynamicsto Surface Hopping -- 10.3.3 From Surface Hopping to SHARC -- 10.3.4 Practical Aspects of SHARC Simulations -- 10.4 Electronic Structure Methods -- 10.4.1 Excited-state Energies and Gradients -- 10.4.2 Nonadiabatic Couplings -- 10.4.3 Spin-orbit Coupling and Scalar Relativistic Effects -- 10.4.4 Dipole Moments and Dyson Norms -- 10.5 Analysis -- 10.5.1 Simulation of Observables -- 10.5.2 Analysis of Electronic Evolution -- 10.5.3 Analysis of Nuclear Evolution -- 10.6 Example Application -- 10.7 Summary -- References -- Chapter 11 Time-dependent Restricted-active-space Self-consistent-field Theory for Electron Dynamics on the Attosecond Timescale -- 11.1 Introduction -- 11.2 Brief Overview of Wavefunction-based Many-electron Theories -- 11.3 Philosophy of the TD-RASSCF Theory -- 11.4 Formulation of the TD-RASSCF Theory -- 11.4.1 Equations of Motion for the Amplitudes -- 11.4.2 Equations of Motion for the Orbitals -- 11.4.2.1 Equations of Motion for the Q-space Orbitals -- 11.4.2.2 Equations of Motion for the P-space Orbitals -- 11.4.2.3 Even Excitation RAS Scheme -- 11.4.2.4 General RAS Scheme
    Content: 11.5 Extraction of Observables from the TD-RASSCF Wavefunction -- 11.5.1 Photoelectrons and High-order Harmonic Generation -- 11.5.1.1 Photoelectrons -- 11.5.1.2 High-order Harmonic Generation -- 11.6 Properties of the TD-RASSCF Theory -- 11.6.1 Gauge Invariance -- 11.6.2 Numerical Performance -- 11.7 Illustrative Applications of the TD-RASSCF Theory -- 11.7.1 High-order Harmonic Generation -- 11.7.2 Photoionization of Be -- 11.7.2.1 Correlation Effects in Time-delays in Photoionization -- 11.8 Summary and Conclusion -- References -- Chapter 12 Real-time and Real-space Time-dependent Density-functional Theory Approach to Attosecond Dynamics -- 12.1 Introduction -- 12.2 TDDFT in Real Time -- 12.2.1 Perturbation Theory Approaches -- 12.2.2 Electron-ion Dynamics -- 12.2.3 Computational Issues -- 12.3 Photon Absorption -- 12.3.1 Equilibrium Linear Response -- 12.3.2 Non-equilibrium Linear Response -- 12.4 Photoelectron Spectroscopy -- 12.4.1 Formalism -- 12.4.2 Example -- 12.5 Control of Electron Dynamics -- 12.6 Conclusions and Remarks -- References -- Chapter 13 Elements of Structure Retrieval in Ultrafast Electron and Laser-induced Electron Diffraction from Aligned Polyatomic Molecules -- 13.1 Introduction -- 13.2 Conventional Gas-phase Electron Diffraction and the Independent Atom Model -- 13.3 Structure Retrieval from Electron Diffractionof Aligned Molecules -- 13.3.1 Genetic Algorithm for Reconstructing the Diffraction Pattern Corresponding to Perfectly 1-DAligned Molecules -- 13.3.2 Calculating a Diffraction Pattern after Rotationand Averaging of the Angular Distribution -- 13.3.3 Application of the Genetic Algorithm to Symmetric Top Molecules -- 13.3.4 Application of the Genetic Algorithm to Asymmetric Top Molecules -- 13.3.4.1 Expressing the Diffraction PatternsUsing Cylindrical Harmonics -- 13.3.4.2 Applying the Genetic Algorithm
    Content: 13.3.4.3 Iterative Phase Retrieval Algorithm
    Additional Edition: 9781782629955
    Additional Edition: Print version Vrakking, Marc J J Attosecond Molecular Dynamics Cambridge : Royal Society of Chemistry,c2018 9781782629955
    Language: English
    URL: Volltext  (lizenzpflichtig)
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  • 4
    Online Resource
    Online Resource
    Attosecond molecular dynamics (2018)
    Cambridge : Royal Society of Chemistry
    Details
    UID:
    (DE-627)1655882953
    Format: 1 Online-Ressource (xii, 500 Seiten)
    ISBN: 9781788012669
    Series Statement: Theoretical and computational chemistry series 13
    Content: Front Cover; Attosecond Molecular Dynamics; Contents; Chapter 1 Introduction; 1.1 Introduction; 1.2 State-of-the-art of Molecular Attosecond Experiments; 1.2.1 Electron Localization Following Attosecond Molecular Photoionization; 1.2.2 Increasing the Complexity of the Molecule: N2; 1.2.3 The Next Level of Complexity: Polyatomic Molecules; 1.3 Contents of this Book; References; Chapter 2 Low-dimensional Models for Simulating Attosecond Processes in Atoms and Molecules; 2.1 Introduction; 2.2 Electron Dynamics in Strong Fields; 2.2.1 Single Active Electron 1d Models
    Content: 2.2.2 Emission Times in High Harmonic Generation2.2.3 Short and Long Trajectories in Harmonic Generation: Quantum Path Interferences; 2.2.4 Structural Minima in Harmonic Spectra from Molecules; 2.2.5 Pros and Cons of 1d Models; 2.3 Accounting for the Nuclear Motion; 2.3.1 1d 1d Vibronic Model; 2.3.2 Dynamics of Molecular Photoionisation; 2.3.3 Influence of Nuclear Motion on High Harmonic Generation in Molecules; 2.4 Conclusion; References; Chapter 3 First-principles Many-electron Dynamics Using the B-spline Algebraic Diagrammatic Construction Approach
    Content: 3.1 Theoretical Method: Time-dependent B-spline ADC3.1.1 Intermediate State Representation Approach to ADC Ab Initio Schemes; 3.1.2 B-spline Basis Set; 3.1.3 Computational Procedure; 3.1.4 Time Propagation; 3.2 Results and Discussion; 3.2.1 Atomic Photoionisation Cross Sections by Combination of B-spline-ADC and Stieltjes Methods; 3.2.2 ADC(1) High Harmonic Generation Spectra of Ar Atom and Aligned CO2 Molecules; 3.2.3 Attosecond Transient Absorption Spectroscopy Calculation in a He Atom; 3.3 Conclusions; References
    Content: Chapter 4 Ultrafast Electron Dynamics as a Route to Explore Chemical Processes4.1 Problem Overview; 4.1.1 Chemistry as Dynamics of Quantum Particles; 4.1.2 Molecular States and Born-Oppenheimer Approximation; 4.1.3 Describing Correlated Electrons; 4.2 Correlated Electron Dynamics Following Ionization; 4.2.1 The Hole Density; 4.2.2 Choice of Cationic Basis and Initial State; 4.2.3 Basic Mechanisms; 4.3 Attochemistry; 1 Dyson ADC; 2 Non-Dyson ADC; References; Chapter 5 Time-dependent Multiconfigurational Theories of Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields
    Content: 5.1 Introduction5.2 Multiconfiguration Time-dependent Hartree-Fock Theory; 5.2.1 EOMs for the Spin-orbitals; 5.2.2 The EOMs for CI Coefficients; 5.2.3 Time-dependent Natural Orbitals; 5.2.3.1 Definition of Instantaneous Natural Spin-orbitals; 5.2.3.2 EOMs for Time-dependent Natural Spin-orbitals; 5.3 Nuclear Dynamics of Molecules in Intense Near-infrared Fields: Time-Dependent Adiabatic State Approach; 5.4 Extension of MCTDHF to Treat Molecular Dynamics; 5.5 Results and Discussion; 5.5.1 Application of MCTDHF to Anisotropic Ionization of CO; 5.5.1.1 Ionization; 5.5.1.2 Effective Potential
    Content: A valuable reference work for anyone working in the field of attosecond science as well as those studying the subject
    Additional Edition: 9781782629955
    Additional Edition: Erscheint auch als Druck-Ausgabe Attosecond molecular dynamics Cambridge : Royal Society of Chemistry, 2018 9781782629955
    Language: English
    Subjects: Physics
    RVK:
    UM 3150
    Keywords: Attosekundenbereich ; Molekulardynamik
    DOI: 10.1039/9781788012669
    URL: Volltext
    URL: Volltext
    URL: lizenzpflichtig
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  • 5
    Online Resource
    Online Resource
    Attosecond and XUV physics : ultrafast dynamics and spectroscopy (2014)
    Weinheim : Wiley-VCH
    Details
    UID:
    (DE-604)BV041844188
    Format: 1 Online-Ressource (XVI, 607 Seiten)
    ISBN: 9783527677658 , 9783527677665 , 9783527677672 , 9783527677689
    Additional Edition: Erscheint auch als Druckausgabe ISBN 978-3-527-41124-5
    Language: English
    Subjects: Physics
    RVK:
    UH 5618
    Keywords: Freie-Elektronen-Laser ; Kurzzeitphysik ; Attosekundenbereich ; Aufsatzsammlung ; Hochschulschrift
    DOI: 10.1002/9783527677689
    URL: Volltext
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    HU Berlin
    FU Berlin
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    BVB
  • 6
    Online Resource
    Online Resource
    Attosecond and XUV physics : ultrafast dynamics and spectroscopy (2014)
    Weinheim : Wiley-VCH
    Details
    UID:
    (DE-602)b3kat_BV041844188
    Format: 1 Online-Ressource (XVI, 607 Seiten)
    ISBN: 9783527677658 , 9783527677665 , 9783527677672 , 9783527677689
    Additional Edition: Erscheint auch als Druckausgabe ISBN 978-3-527-41124-5
    Language: English
    Subjects: Physics
    RVK:
    UH 5618
    Keywords: Freie-Elektronen-Laser ; Kurzzeitphysik ; Attosekundenbereich ; Aufsatzsammlung ; Hochschulschrift
    DOI: 10.1002/9783527677689
    URL: Volltext
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    KOBV
  • 7
    Book
    Book
    Attosecond and XUV physics : ultrafast dynamics and spectroscopy (2014)
    Weinheim : Wiley-VCH Verlag GmbH & Co. KGaA
    Details
    UID:
    (DE-627)1607221071
    Format: XVI, 607 Seiten , Illustrationen, Diagramme
    ISBN: 3527411240 , 9783527411245
    Note: Literaturangaben
    Additional Edition: 9783527677672
    Additional Edition: 9783527677658
    Additional Edition: 9783527677665
    Additional Edition: 9783527677689
    Additional Edition: Erscheint auch als Online-Ausgabe Attosecond and XUV physics Weinheim : Wiley-VCH, 2014 9783527677689
    Additional Edition: 9783527411245
    Additional Edition: 9783527677658
    Additional Edition: 9783527677665
    Additional Edition: 1306140722
    Additional Edition: 3527677658
    Additional Edition: 3527677666
    Additional Edition: 9781306140720
    Additional Edition: 9783527677658
    Additional Edition: 9783527677665
    Additional Edition: Online-Ausg. Attosecond and XUV physics Weinheim : Wiley-VCH, 2014 9783527677689
    Additional Edition: 3527677666
    Additional Edition: 3527677682
    Additional Edition: 9783527677672
    Additional Edition: 3527677674
    Additional Edition: 9781306140720
    Additional Edition: 1306140722
    Additional Edition: 9783527677658
    Additional Edition: 3527677658
    Additional Edition: 9783527677665
    Language: English
    Subjects: Physics
    RVK:
    UH 5618
    Keywords: Freie-Elektronen-Laser ; Kurzzeitphysik ; Attosekundenbereich ; Aufsatzsammlung
    URL: Inhaltsverzeichnis
    URL: Inhaltstext
    URL: Cover
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  • 8
    Online Resource
    Online Resource
    Attosecond and XUV Physics : Ultrafast Dynamics and Spectroscopy (2013)
    Weinheim : Wiley-VCH
    Details
    UID:
    (DE-101)1055819371
    Format: Online-Ressource , 250 schw.-w. Ill.
    Edition: 1., Auflage
    ISBN: 9783527677672 , 3527677674
    Note: Lizenzpflichtig
    Additional Edition: Druckausg. 9783527411245
    Language: English
    URN: urn:nbn:de:101:1-201408157771
    URL: https://nbn-resolving.org/urn:nbn:de:101:1-201408157771
    URL: https://d-nb.info/1055819371/34
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  • 9
    Online Resource
    Online Resource
    Attosecond and XUV Physics : Ultrafast Dynamics and Spectroscopy (2013)
    Weinheim : Wiley-VCH
    Details
    UID:
    (DE-101)1055819320
    Format: Online-Ressource , 250 schw.-w. Ill.
    Edition: 1., Auflage
    ISBN: 9783527677658 , 3527677658
    Note: Lizenzpflichtig
    Additional Edition: Druckausg. 9783527411245
    Additional Edition: Druckausg. Attosecond and XUV physics Weinheim : Wiley-VCH, 2014
    Language: English
    Keywords: Freie-Elektronen-Laser ; Kurzzeitphysik ; Attosekundenbereich ; Aufsatzsammlung ; Aufsatzsammlung ; Aufsatzsammlung
    URN: urn:nbn:de:101:1-201408157728
    URL: https://nbn-resolving.org/urn:nbn:de:101:1-201408157728
    URL: https://d-nb.info/1055819320/34
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  • 10
    Book
    Book
    Attosecond molecular dynamics (2018)
    Cambridge : Royal Society of Chemistry
    Details
    UID:
    (DE-627)1642012521
    Format: xii, 500 Seiten , Illustrationen , 24 cm
    ISBN: 9781782629955
    Series Statement: Theoretical and computational chemistry 13
    Additional Edition: 9781788012669
    Additional Edition: 9781788015134
    Additional Edition: Erscheint auch als Online-Ausgabe Attosecond molecular dynamics Cambridge : Royal Society of Chemistry, 2018 9781788012669
    Language: English
    Subjects: Physics
    RVK:
    UM 3150
    Keywords: Attosekundenbereich ; Molekulardynamik
    URL: Inhaltsverzeichnis
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