Attosecond Molecular Dynamics
Attosecond science is a new and rapidly developing research area in which molecular dynamics are studied at the timescale of a few attoseconds.
Within the past decade, attosecond pump–probe spectroscopy has emerged as a powerful experimental technique that permits electron dynamics to be followed on their natural timescales. With the development of this technology, physical chemists have been able to observe and control molecular dynamics on attosecond timescales. From these observations it has been suggested that attosecond to few-femtosecond timescale charge migration may induce what has been called “post-Born-Oppenheimer dynamics”, where the nuclei respond to rapidly time-dependent force fields resulting from transient localization of the electrons. These real-time observations have spurred exciting new advances in the theoretical work to both explain and predict these novel dynamics.
This book presents an overview of current theoretical work relevant to attosecond science written by theoreticians who are presently at the forefront of its development. It is a valuable reference work for anyone working in the field of attosecond science as well as those studying the subject.
Attosecond Molecular Dynamics, The Royal Society of Chemistry, 2018.
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Table of contents
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Introductionp1-37ByFranck LepineFranck LepineInstitut Lumière Matière, Université Lyon/CNRS10 Rue Ada ByronVilleurbanne Cedex 69622France[email protected]Search for other works by this author on:
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CHAPTER 2: Low-dimensional Models for Simulating Attosecond Processes in Atoms and Moleculesp38-67ByJérémie Caillat;Jérémie CaillatSorbonne Université, CNRS, Laboratoire de Chimie Physique—Matière et Rayonnement, LCPMR75005ParisFrance[email protected]Search for other works by this author on:Alfred Maquet;Alfred MaquetSorbonne Université, CNRS, Laboratoire de Chimie Physique—Matière et Rayonnement, LCPMR75005ParisFrance[email protected]Search for other works by this author on:François Risoud;François RisoudSorbonne Université, CNRS, Laboratoire de Chimie Physique—Matière et Rayonnement, LCPMR75005ParisFrance[email protected]Search for other works by this author on:Richard TaïebRichard TaïebSorbonne Université, CNRS, Laboratoire de Chimie Physique—Matière et Rayonnement, LCPMR75005ParisFrance[email protected]Search for other works by this author on:
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CHAPTER 3: First-principles Many-electron Dynamics Using the B-spline Algebraic Diagrammatic Construction Approachp68-102ByV. Averbukh;V. AverbukhDepartment of Physics, Imperial College London, Prince Consort RoadLondon SW7 2AZUnited Kingdom[email protected]Search for other works by this author on:M. RubertiM. RubertiDepartment of Physics, Imperial College London, Prince Consort RoadLondon SW7 2AZUnited Kingdom[email protected]Search for other works by this author on:
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CHAPTER 4: Ultrafast Electron Dynamics as a Route to Explore Chemical Processesp103-138ByAlexander I. KuleffAlexander I. KuleffSearch for other works by this author on:
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CHAPTER 5: Time-dependent Multiconfigurational Theories of Electronic and Nuclear Dynamics of Molecules in Intense Laser Fieldsp139-182ByTsuyoshi Kato;Tsuyoshi KatoDepartment of Chemistry, School of Science, The University of Tokyo7-3-1 HongoBunkyo-kuTokyo 113-0033JapanSearch for other works by this author on:Kaoru Yamanouchi;Kaoru YamanouchiDepartment of Chemistry, School of Science, The University of Tokyo7-3-1 HongoBunkyo-kuTokyo 113-0033JapanSearch for other works by this author on:Hirohiko KonoHirohiko KonoDepartment of Chemistry, Graduate School of Science, Tohoku UniversitySendai 980-8578Japan[email protected]Search for other works by this author on:
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CHAPTER 6: Light-induced Conical Intersectionsp183-217ByA. Csehi;A. CsehiDepartment of Theoretical Physics, University of DebrecenH-4002 DebrecenPO Box 400HungaryELI-ALPS, ELI-HU Non-Profit LtdH-6720 SzegedDugonics tér 13HungarySearch for other works by this author on:G. J. HalÁsz;G. J. HalÁszDepartment of Information Technology, University of DebrecenH-4002 DebrecenPO Box 400HungarySearch for other works by this author on:L. S. Cederbaum;L. S. CederbaumTheoretical Chemistry, Institute of Physical Chemistry, University of HeidelbergH-69120Germany[email protected]Search for other works by this author on:Á. VibÓkÁ. VibÓkDepartment of Theoretical Physics, University of DebrecenH-4002 DebrecenPO Box 400HungaryELI-ALPS, ELI-HU Non-Profit LtdH-6720 SzegedDugonics tér 13HungarySearch for other works by this author on:
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CHAPTER 7: Theoretical Methods for Attosecond Coupled Electron-nuclear Dynamics In Molecular Photoionizationp218-274ByAlicia Palacios;Alicia PalaciosDepartamento de Química, Módulo 13, Universidad Autónoma de Madrid28049 MadridSpainInstitute for Advanced Research in Chemical Sciences (IAdChem), Universidad Autónoma de Madrid28049 MadridSpainSearch for other works by this author on:José Luis Sanz-Vicario;José Luis Sanz-VicarioGrupo de Física Atómica y Molecular, Instituto de Física, Universidad de AntioquiaMedellínColombiaSearch for other works by this author on:Fernando MartínFernando MartínDepartamento de Química, Módulo 13, Universidad Autónoma de Madrid28049 MadridSpainInstituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), Cantoblanco, 28049 MadridSpainCondensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid28049 MadridSpain[email protected]Search for other works by this author on:
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CHAPTER 8: How Nuclear Motion Affects Coherent Electron Dynamics in Moleculesp275-307ByMichael A. Robb;Michael A. RobbDepartment of Chemistry, Imperial College London, London SW7 2AZUnited KingdomSearch for other works by this author on:Andrew J. Jenkins;Andrew J. JenkinsDepartment of Chemistry, Imperial College London, London SW7 2AZUnited KingdomDepartment of Chemistry, University of Washington, SeattleWA 98195USASearch for other works by this author on:Morgane VacherMorgane VacherDepartment of Chemistry - Ångström, The Theoretical Chemistry Programme, Uppsala University, Box 538751 21 UppsalaSweden[email protected]Search for other works by this author on:
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CHAPTER 9: Attophotochemistry: Coherent Electronic Dynamics and Nuclear Motionp308-347ByJ. S. Ajay;J. S. AjayThe Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of JerusalemJerusalem 91904IsraelSearch for other works by this author on:K. G. Komarova;K. G. KomarovaThe Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of JerusalemJerusalem 91904IsraelSearch for other works by this author on:S. Van Den Wildenberg;S. Van Den WildenbergTheoretical Physical Chemistry, UR MolSys, B6c, Université de LiègeB4000 LiègeBelgiumSearch for other works by this author on:F. Remacle;F. RemacleThe Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of JerusalemJerusalem 91904IsraelTheoretical Physical Chemistry, UR MolSys, B6c, Université de LiègeB4000 LiègeBelgiumSearch for other works by this author on:R. D. LevineR. D. LevineThe Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of JerusalemJerusalem 91904IsraelCrump Institute for Molecular Imaging and Department of Molecular and Medical Pharmacology, David Geffen School of Medicine and Department of Chemistry and Biochemistry, University of CaliforniaLos AngelesCA 90095USA[email protected]Search for other works by this author on:
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CHAPTER 10: General Trajectory Surface Hopping Method for Ultrafast Nonadiabatic Dynamicsp348-385BySebastian Mai;Sebastian MaiInstitute of Theoretical Chemistry, Faculty of Chemistry, University of ViennaWähringer Str. 171090 ViennaAustria[email protected]Search for other works by this author on:Felix Plasser;Felix PlasserInstitute of Theoretical Chemistry, Faculty of Chemistry, University of ViennaWähringer Str. 171090 ViennaAustria[email protected]Search for other works by this author on:Philipp Marquetand;Philipp MarquetandInstitute of Theoretical Chemistry, Faculty of Chemistry, University of ViennaWähringer Str. 171090 ViennaAustria[email protected]Search for other works by this author on:Leticia GonzálezLeticia GonzálezInstitute of Theoretical Chemistry, Faculty of Chemistry, University of ViennaWähringer Str. 171090 ViennaAustria[email protected]Search for other works by this author on:
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CHAPTER 11: Time-dependent Restricted-active-space Self-consistent-field Theory for Electron Dynamics on the Attosecond Timescalep386-423ByHaruhide MiyagiHaruhide MiyagiSearch for other works by this author on:
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CHAPTER 12: Real-time and Real-space Time-dependent Density-functional Theory Approach to Attosecond Dynamicsp424-461ByUmberto de Giovannini;Umberto de GiovanniniMax Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 14922761 HamburgGermany[email protected]Search for other works by this author on:Alberto CastroAlberto CastroARAID Foundation and Institute for Biocomputation and Physics of Complex Systems, University of Zaragoza Mariano Esquillor Gómez s/n50018 ZaragozaSpainSearch for other works by this author on:
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CHAPTER 13: Elements of Structure Retrieval in Ultrafast Electron and Laser-induced Electron Diffraction from Aligned Polyatomic Moleculesp462-493ByMartin Centurion;Martin CenturionDepartment of Physics and Astronomy, University of Nebraska-LincolnLincolnNebraska68588USASearch for other works by this author on:C. D. LinC. D. LinSearch for other works by this author on:
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