Electronic and nuclear quantum dynamics of molecules in intense laser fields PDF Download

Author: Yuichi Fujimura
Publisher: Frontiers Media SA
ISBN: 2832522114
Category : Science
Languages : en
Pages : 161

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Book Description

Author: Roberto Marquardt
Publisher: Elsevier
ISBN: 0128172355
Category : Science
Languages : en
Pages : 376

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Book Description
Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure

Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
A realistic description of ionization in intense laser fields is implemented into the Non-Adiabatic Quantum Molecular Dynamics (NA-QMD) formalism. First, the error of a finite basis expansion is considered and a new measure is proposed for time-dependent calculations. This is used to investigate systematically the influence of the used basis set in calculations on the hydrogen atom in intense laser fields. Second, absorbing boundary conditions in basis expansion are introduced via an imaginary potential into the effective one-particle Hamiltonian. It is shown that the used form of the absorber potential is valid in many-electron time-dependent density functional theory calculations, i.e. that only ionized states are affected by the absorbing potential. The absorber is then tested on reference calculations that exist for H and aligned H+2 in intense laser fields. Excellent agreement is found. Additionally, an approximative treatment of the missing electron-nuclear correlations is proposed. It is found in calculations on H+2 that a qualitative improvement of the description of nuclear dynamics results. The extension of the NA-QMD formalism is then used to investigate the alignment behavior of diatomic molecules. Recent experiments on H+2 and H2 are reviewed and explained. It is found that dynamic alignment, i.e. the laser induced rotation of the molecule, plays a central role. The alignment behavior of H+2 and H2 and its intensity dependence is investigated after that. A drastic difference between H+2 and H2 is found in NA-QMD as well as model calculations. Then, the focus is on an astonishing new effect that has been found in N2 calculations. This effect which is called "rotational destabilization" is studied on the model system H+2. Yet, it might be observable only in heavy dimers and might have already been found in an experiment on I2.

Author: Fabien Gatti
Publisher: Springer Science & Business Media
ISBN: 3642452906
Category : Science
Languages : en
Pages : 281

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Book Description
This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

Author: Matthieu Sala
Publisher: Springer
ISBN: 3319289799
Category : Science
Languages : en
Pages : 198

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Book Description
The central subject of this thesis is the theoretical description of ultrafast dynamical processes in molecular systems of chemical interest and their control by laser pulses. This work encompasses different cutting-edge methods in quantum chemistry, quantum dynamics and for the rigorous description of the interaction of light and matter at the molecular level. It provides a general quantum mechanical framework for the description of chemical processes guided by laser pulses, in particular near conical intersections, i.e. geometries where the nuclear and electronic motions couple and the molecule undergoes non-adiabatic (or non-Born-Oppenheimer) dynamics. In close collaboration with experimentalists, the author succeeds in making a decisive step to link and to apply quantum physics to chemistry by transferring state of the art techniques and concepts developed in physics to chemistry, such as “light dressed atoms and molecules” and “adiabatic Floquet theory”. He applies these techniques in three prototypic model systems (aniline, pyrazine and NHD2) using high-level electronic structure calculations. Readers will enjoy the comprehensive and accessible introduction to the topic and methodology, as well as the clear structure of the thesis.

Author: Chris McDonald
Publisher:
ISBN:
Category : Laser beams
Languages : en
Pages : 90

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Book Description

Author: Yuichi Fujimura
Publisher: World Scientific
ISBN: 981283723X
Category : Science
Languages : en
Pages : 195

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Book Description
In recent years, there has been rapid growth in the research field of real-time observation of nuclear and electronic dynamics in molecules. Its time range extends from femtoseconds to attoseconds. This has been made possible by the development of both laser technology and time-dependent theoretical treatments. Indeed, this research field is arguably the most active one in molecular science, second only to femtosecond chemistry. The outcome of the research is expected to make an important contribution to physics, materials science and biology as well as chemistry. In this monograph, the fundamental theories and methods, as well as experimental methods and results, of real-time observation of both nuclear and electronic motions in molecular systems are described. It is suitable for researchers who want to make an active contribution to the new research field and for graduate students who are interested in ultra-fast nuclear and electron dynamics in molecular systems.

Author: Kaoru Yamanouchi
Publisher: Springer
ISBN: 3319648403
Category : Science
Languages : en
Pages : 234

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Book Description
This thirteenth volume in the PUILS series covers a broad range of topics from this interdisciplinary research field, focusing on atoms, molecules, and clusters interacting in intense laser field and high-order harmonics generation and their applications. The series delivers up-to-date reviews of progress in ultrafast intense laser science, the interdisciplinary research field spanning atomic and molecular physics, molecular science, and optical science, which has been stimulated by the developments in ultrafast laser technologies. Each volume compiles peer-reviewed articles authored by researchers at the forefront of each their own subfields of UILS. Typically, each chapter opens with an overview of the topics to be discussed, so that researchers unfamiliar to the subfield, as well as graduate students, can grasp the importance and attractions of the research topic at hand; these are followed by reports of cutting-edge discoveries.

Author: Dimitri Batani
Publisher: Springer Science & Business Media
ISBN: 1461513510
Category : Science
Languages : en
Pages : 409

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Book Description
The recent developement of high power lasers, delivering femtosecond pulses of 20 2 intensities up to 10 W/cm , has led to the discovery of new phenomena in laser interactions with matter. At these enormous laser intensities, atoms, and molecules are exposed to extreme conditions and new phenomena occur, such as the very rapid multi photon ionization of atomic systems, the emission by these systems of very high order harmonics of the exciting laser light, the Coulomb explosion of molecules, and the acceleration of electrons close to the velocity of light. These phenomena generate new behaviour of bulk matter in intense laser fields, with great potential for wide ranging applications which include the study of ultra-fast processes, the development of high-frequency lasers, and the investigation of the properties of plasmas and condensed matter under extreme conditions of temperature and pressure. In particular, the concept of the "fast ignitor" approach to inertial confinement fusion (ICF) has been proposed, which is based on the separation of the compression and the ignition phases in laser-driven ICF. The aim of this course on "Atom, Solids and Plasmas in Super-Intense Laser fields" was to bring together senior researchers and students in atomic and molecular physics, laser physics, condensed matter and plasma physics, in order to review recent developments in high-intensity laser-matter interactions. The course was held at the Ettore Majorana International Centre for Scientific Culture in Erice from July 8 to July 14,2000.

Author: Yuichi Fujimura
Publisher: World Scientific
ISBN: 9814469165
Category : Science
Languages : en
Pages : 195

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Book Description
In recent years, there has been rapid growth in the research field of real-time observation of nuclear and electronic dynamics in molecules. Its time range extends from femtoseconds to attoseconds. This has been made possible by the development of both laser technology and time-dependent theoretical treatments. Indeed, this research field is arguably the most active one in molecular science, second only to femtosecond chemistry. The outcome of the research is expected to make an important contribution to physics, materials science and biology as well as chemistry.In this monograph, the fundamental theories and methods, as well as experimental methods and results, of real-time observation of both nuclear and electronic motions in molecular systems are described. It is suitable for researchers who want to make an active contribution to the new research field and for graduate students who are interested in ultra-fast nuclear and electron dynamics in molecular systems.