Download or read book A Theoretical Study of Quantum Molecular Reaction Dynamics and of the Effects of Intense Laser Radiation on a Diatomic Molecule written by Peter Sabatino Dardi and published by . This book was released on 1984 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theoretical Study of Quantum Molecular Reaction Dynamics and of the Effects of Intense Laser Radiation on a Diatomic Molecule written by and published by . This book was released on 1984 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Within the very broad field of molecular dynamics, we have concentrated on two simple yet important systems. The systems are simple enough so that they are adequately described with a single Born-Oppenheimer potential energy surface and that the dynamics can be calculated accurately. They are important because they give insight into solving more complicated systems. First we discuss H + H2 reactive scattering. We present an exact formalism for atom-diatom reactive scattering which avoids the problem of finding a coordinate system appropriate for both reactants and products. We present computational results for collinear H + H2 reactive scattering which agree very well with previous calculations. We also present a coupled channel distorted wave Born approximation for atom-diatom reactive scattering which we show is a first order approximation to our exact formalism. We present coupled channel DWBA results for three dimensional H + H2 reactive scattering. The second system is an isolated HF molecule in an intense laser field. Using classical trajectories and quantum dynamics, we look at energy absorbed and transition probabilities as a function of the laser pulse time and also averaged over the pulse time. Calculations are performed for both rotating and nonrotating HF. We examine one and two photon absorption about the fundamental frequency, multiphoton absorption, and overtone absorption. 127 references, 31 figures, 12 tables.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1985 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1985 with total page 1074 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2004 with total page 882 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dynamics of Diatomic Molecules in Intense Laser Fields written by and published by . This book was released on 2005 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Theoretical Aspects of Laser Radiation and Its Interaction with Atomic and Molecular Systems written by and published by . This book was released on 1977 with total page 64 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory of Chemical Reaction Dynamics written by Antonio Laganà and published by Springer Science & Business Media. This book was released on 2005 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book NBS Special Publication written by and published by . This book was released on 1968 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1991 with total page 1806 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book INIS Atomindex written by and published by . This book was released on 1986 with total page 888 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Electronic and nuclear quantum dynamics of molecules in intense laser fields written by Yuichi Fujimura and published by Frontiers Media SA. This book was released on 2023-04-28 with total page 161 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Publications of the National Bureau of Standards Catalog written by United States. National Bureau of Standards and published by . This book was released on 1984 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book American Doctoral Dissertations written by and published by . This book was released on 1997 with total page 806 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Manifestations of Quantum mechanical Effects in Molecular Reaction Dynamics written by Foudhil Bouakline and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This habilitation thesis summarises the research work performed by the author during the last quindecennial period. The dissertation reflects his main research interests, which revolve around quantum dynamics of small-sized molecular systems, including their interactions with electromagnetic radiation or dissipative environments. This covers various dynamical processes that involve bound-bound, bound-free, and free-free molecular transitions. The latter encompass light-triggered rovibrational or rovibronic dynamics in bound molecules, molecular photodissociation induced by weak or strong laser fields, state-to-state reactive and/or inelastic molecular collisions, and phonon-driven vibrational relaxation of adsorbates at solid surfaces. Although the dissertation covers different topics of molecular reaction dynamics, most of these studies focus on nuclear quantum effects and their manifestations in experimental measures. The latter are assessed through comparison between quantum and classical predictions, and/or direct confrontation of ...
