Theoretical Studies Of Excited State Dynamics In Disordered Condensed Phase Systems
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Author | : Alexander Altland |
Publisher | : Cambridge University Press |
Total Pages | : 785 |
Release | : 2010-03-11 |
Genre | : Science |
ISBN | : 0521769752 |
This primer is aimed at elevating graduate students of condensed matter theory to a level where they can engage in independent research. Topics covered include second quantisation, path and functional field integration, mean-field theory and collective phenomena.
Author | : Hiroki Nakamura |
Publisher | : World Scientific |
Total Pages | : 515 |
Release | : 2012 |
Genre | : Science |
ISBN | : 9814329789 |
Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. In this new edition, the original chapters are updated to facilitate enhanced understanding of the concept and applications. Three new chapters OCo comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions OCo are also added.
Author | : |
Publisher | : |
Total Pages | : 776 |
Release | : 2001 |
Genre | : Dissertation abstracts |
ISBN | : |
Author | : |
Publisher | : |
Total Pages | : 800 |
Release | : 2008 |
Genre | : Dissertations, Academic |
ISBN | : |
Author | : |
Publisher | : |
Total Pages | : 702 |
Release | : 1995 |
Genre | : Aeronautics |
ISBN | : |
Author | : Volkhard May |
Publisher | : John Wiley & Sons |
Total Pages | : 600 |
Release | : 2011-04-27 |
Genre | : Science |
ISBN | : 3527633812 |
This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena. Among the new topics are: - Time-dependent density functional theory - Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces - Current flows through a single molecule. While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.
Author | : Simone Taioli |
Publisher | : Frontiers Media SA |
Total Pages | : 93 |
Release | : 2016-01-22 |
Genre | : Engineering (General). Civil engineering (General) |
ISBN | : 2889197557 |
Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.
Author | : Stanford University |
Publisher | : |
Total Pages | : 415 |
Release | : 1983 |
Genre | : |
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Total Pages | : 488 |
Release | : 1992-02 |
Genre | : Power resources |
ISBN | : |
Author | : Yukihiro Ozaki |
Publisher | : John Wiley & Sons |
Total Pages | : 636 |
Release | : 2019-09-03 |
Genre | : Technology & Engineering |
ISBN | : 3527344616 |
Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.