The Embedding Method For Electronic Structure
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The Embedding Method For Electronic Structure
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Author : John Inglesfield
language : en
Publisher: IOP Publishing Limited
Release Date : 2015
The Embedding Method For Electronic Structure written by John Inglesfield and has been published by IOP Publishing Limited this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Science categories.
Annotation The embedding method is a powerful theoretical and computational technique relevant to many technologically and scientifically important problems. Encompassing important and topical problems in, for example, surface and interface electronic structure, adsorption, the physics of nanostructures, molecular electronics, plasmonics and photonics it has become an important tool for researchers in these fields. More recently it has also been extended into the time domain. This book provides a thorough review of the method which can be used as either an accessible starting point for those wishing to understand and use the method, or as a single reference source for those already applying it in their research.
The Embedding Method For Electronic Structure
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Author : J E Inglesfield
language : en
Publisher: Myprint
Release Date : 2015-12-09
The Embedding Method For Electronic Structure written by J E Inglesfield and has been published by Myprint this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-12-09 with categories.
Embedding Method Electronic Structure
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Author : INGLESFIELD
language : en
Publisher:
Release Date : 2022-07-30
Embedding Method Electronic Structure written by INGLESFIELD and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-07-30 with categories.
Modern Methods For Theoretical Physical Chemistry Of Biopolymers
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Author : Evgeni Starikov
language : en
Publisher: Elsevier
Release Date : 2011-08-11
Modern Methods For Theoretical Physical Chemistry Of Biopolymers written by Evgeni Starikov and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-08-11 with Science categories.
Modern Methods for Theoretical Physical Chemistry of Biopolymers provides an interesting selection of contributions from an international team of researchers in theoretical chemistry. This book is extremely useful for tackling the complicated scientific problems connected with biopolymers' physics and chemistry. The applications of both the classical molecular-mechanical and molecular-dynamical methods and the quantum chemical methods needed for bridging the gap to structural and dynamical properties dependent on electron dynamics are explained. Also included are ways to deal with complex problems when all three approaches need to be considered at the same time. The book gives a rich spectrum of applications: from theoretical considerations of how ATP is produced and used as 'energy currency' in the living cell, to the effects of subtle solvent influence on properties of biopolymers and how structural changes in DNA during single-molecule manipulation may be interpreted.· Presents modern successes and trends in theoretical physical chemistry/chemical physics of biopolymers· Topics covered are of relevant importance to rapidly developing areas in science such as nanotechnology and molecular medicine· Quality selection of contributions from renowned scientists in the field
Handbook On The Physics And Chemistry Of Rare Earths
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Author :
language : en
Publisher: Elsevier
Release Date : 2016-10-31
Handbook On The Physics And Chemistry Of Rare Earths written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-10-31 with Science categories.
Handbook on the Physics and Chemistry of Rare Earths: Including Actinides is a continuous series of books covering all aspects of rare earth science, including chemistry, life sciences, materials science, and physics. The book's main emphasis is on rare earth elements [Sc, Y, and the lanthanides (La through Lu], but whenever relevant, information is also included on the closely related actinide elements. Individual chapters are comprehensive, broad, up-to-date, critical reviews written by highly experienced, invited experts. The series, which was started in 1978 by Professor Karl A. Gschneidner Jr., combines, and integrates, both the fundamentals and applications of these elements with two published volumes each year. - Presents up-to-date overviews and new developments in the field of rare earths, covering both their physics and chemistry - Contains Individual chapters that are comprehensive and broad, with critical reviews - Provides contributions from highly experienced, invited experts
Computational Materials Discovery
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Author : Artem Oganov
language : en
Publisher: Royal Society of Chemistry
Release Date : 2018-10-30
Computational Materials Discovery written by Artem Oganov and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-30 with Science categories.
A unique and timely book providing an overview of both the methodologies and applications of computational materials design.
International Conference Of Computational Methods In Sciences And Engineering Iccmse 2004
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Author : Theodore Simos
language : en
Publisher: CRC Press
Release Date : 2019-04-29
International Conference Of Computational Methods In Sciences And Engineering Iccmse 2004 written by Theodore Simos and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-04-29 with Computers categories.
The International Conference of Computational Methods in Sciences and Engineering (ICCMSE) is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. The aim of the conference is to bring together computational scientists from several disciplines in order to share methods and ideas. More than 370 extended abstracts have been submitted for consideration for presentation in ICCMSE 2004. From these, 289 extended abstracts have been selected after international peer review by at least two independent reviewers.
Electronic Properties Of Solids Using Cluster Methods
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Author : T.A. Kaplan
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
Electronic Properties Of Solids Using Cluster Methods written by T.A. Kaplan 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 2006-04-11 with Science categories.
Proceedings of a Summer School at Michigan State University held in East Lansing, Michigan, July 17-19, 1994
Fragmentation Toward Accurate Calculations On Complex Molecular Systems
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Author : Mark S. Gordon
language : en
Publisher: John Wiley & Sons
Release Date : 2017-10-23
Fragmentation Toward Accurate Calculations On Complex Molecular Systems written by Mark S. Gordon and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-23 with Science categories.
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Supercomputing Collision Processes And Applications
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Author : Kenneth L. Bell
language : en
Publisher: Springer Science & Business Media
Release Date : 1999-08-31
Supercomputing Collision Processes And Applications written by Kenneth L. Bell 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 1999-08-31 with Science categories.
Professor Philip G. Burke, CBE, FRS formally retired on 30 September 1998. To recognise this occasion some of his colleagues, friends, and former students decided to hold a conference in his honour and to present this volume as a dedication to his enormous contribution to the theoretical atomic physics community. The conference and this volume of the invited talks reflect very closely those areas with which he has mostly been asso- ated and his influence internationally on the development of atomic physics coupled with a parallel growth in supercomputing. Phil’s wide range of interests include electron-atom/molecule collisions, scattering of photons and electrons by molecules adsorbed on surfaces, collisions involving oriented and chiral molecules, and the development of non-perturbative methods for studying multiphoton processes. His devel- ment of the theory associated with such processes has enabled important advances to be made in our understanding of the associated physics, the interpretation of experimental data, has been invaluable in application to fusion processes, and the study of astrophysical plasmas (observed by both ground- and space-based telescopes). We therefore offer this volume as our token of affection and respect to Philip G. Burke, with the hope that it may also fill a gap in the literature in these important fields.