Frontiers In Quantum Methods And Applications In Chemistry And Physics
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Frontiers In Quantum Methods And Applications In Chemistry And Physics
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Author : M.A.C. Nascimento
language : en
Publisher: Springer
Release Date : 2015-04-02
Frontiers In Quantum Methods And Applications In Chemistry And Physics written by M.A.C. Nascimento and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-04-02 with Science categories.
This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.
Rare Earth Element
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Author : Jose Edgar Alfonso Orjuela
language : en
Publisher: BoD – Books on Demand
Release Date : 2017-07-26
Rare Earth Element written by Jose Edgar Alfonso Orjuela and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-26 with Science categories.
Rare earth elements have significant physical and chemical properties, which have been made indispensable in many magnetic, electronic, and optical applications. For instance, rare earth magnets have high magnetic intensity that can be retained at high temperatures, making them ideal for aerospace applications. Moreover, rare earth elements allow to fabricate faster, smaller, and lighter devices such as cell phones and hard drives. They are also important for in-ear headphones, microphones, loudspeakers, optical fibers, smartphones, and tablet computers. All these technological possibilities have made sure that the rare earth elements are part of the daily life. Therefore, this book has a main objective to let the readers know useful information about the rare earth elements that possibly allow development of the researches in different fields of science where the rare earth elements are used.
Recent Studies Inperturbation Theory
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Author : Dimo Uzunov
language : en
Publisher: BoD – Books on Demand
Release Date : 2017-06-14
Recent Studies Inperturbation Theory written by Dimo Uzunov and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-06-14 with Technology & Engineering categories.
The book contains seven chapters written by noted experts and young researchers who present their recent studies of both pure mathematical problems of perturbation theories and application of perturbation methods to the study of the important topic in physics, for example, renormalization group theory and applications to basic models in theoretical physics (Y. Takashi), the quantum gravity and its detection and measurement (F. Bulnes), atom-photon interactions (E. G. Thrapsaniotis), treatment of spectra and radiation characteristics by relativistic perturbation theory (A. V. Glushkov et al), and Green's function theory and some applications (Jing Huang). The pure mathematical issues are related to the problem of generalization of the boundary layer function method for bisingularly perturbed differential equations (K. Alymkulov and D. A. Torsunov) and to the development of new homotopy asymptotic methods and some of their applications (Baojian Hong).
Chemistry At The Frontier With Physics And Computer Science
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Author : Sergio Rampino
language : en
Publisher: Elsevier
Release Date : 2022-05-16
Chemistry At The Frontier With Physics And Computer Science written by Sergio Rampino and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-16 with Science categories.
Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
Practical Aspects Of Computational Chemistry I
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Author : Jerzy Leszczynski
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-02
Practical Aspects Of Computational Chemistry I written by Jerzy Leszczynski and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-01-02 with Science categories.
Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
Application Of Optimization Algorithms In Chemistry
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Author : Jorge M. C. Marques
language : en
Publisher: Frontiers Media SA
Release Date : 2020-06-08
Application Of Optimization Algorithms In Chemistry written by Jorge M. C. Marques and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-06-08 with categories.
This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.
Frontiers In Quantum Methods And Applications In Chemistry And Physics
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Author : M.A.C. Nascimento
language : en
Publisher:
Release Date : 2015
Frontiers In Quantum Methods And Applications In Chemistry And Physics written by M.A.C. Nascimento and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with categories.
This edited, multi-author volume contains 14 selected, peer-reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular, and condensed matter systems, each containing the most relevant material based on related topics . Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular, and condensed matter systems (including bio and nano structures) are presented.
Quantum Mechanics With Applications To Nanotechnology And Information Science
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Author : Yehuda B. Band
language : en
Publisher: Academic Press
Release Date : 2013-01-10
Quantum Mechanics With Applications To Nanotechnology And Information Science written by Yehuda B. Band and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-10 with Science categories.
Quantum mechanics transcends and supplants classical mechanics at the atomic and subatomic levels. It provides the underlying framework for many subfields of physics, chemistry and materials science, including condensed matter physics, atomic physics, molecular physics, quantum chemistry, particle physics, and nuclear physics. It is the only way we can understand the structure of materials, from the semiconductors in our computers to the metal in our automobiles. It is also the scaffolding supporting much of nanoscience and nanotechnology. The purpose of this book is to present the fundamentals of quantum theory within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology. As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today. Hence, the emphasis on new topics that are not included in older reference texts, such as quantum information theory, decoherence and dissipation, and on applications to nanotechnology, including quantum dots, wires and wells. - This book provides a novel approach to Quantum Mechanics whilst also giving readers the requisite background and training for the scientists and engineers of the 21st Century who need to come to grips with quantum phenomena - The fundamentals of quantum theory are provided within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology - Older books on quantum mechanics do not contain the amalgam of ideas, concepts and tools necessary to prepare engineers and scientists to deal with the new facets of quantum mechanics and their application to quantum information science and nanotechnology - As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today - There are many excellent quantum mechanics books available, but none have the emphasis on nanotechnology and quantum information science that this book has
Green Chemistry And Computational Chemistry
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Author : Liliana L. Mammino
language : en
Publisher: Elsevier
Release Date : 2021-11-17
Green Chemistry And Computational Chemistry written by Liliana L. Mammino and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-17 with Science categories.
Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices.Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice. - Highlights the benefits of green and theoretical chemistry groups working together to tackle sustainability issues across both academia and industry - Supports readers in easily selecting the most appropriate path through the book for their own needs - Presents a range of examples examining the practical implications and outcomes of interdisciplinary approaches
New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes
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Author :
language : en
Publisher: Academic Press
Release Date : 2021-09-28
New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-28 with Science categories.
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers