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Linear-Scaling Techniques in Computational Chemistry and Physics : Methods an...
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eBay-Artikelnr.:303880055444
Artikelmerkmale
- Artikelzustand
- Topic
- Chemistry
- Narrative Type
- Nonfiction
- ISBN
- 9789048128525
Über dieses Produkt
Product Identifiers
Publisher
Springer Netherlands
ISBN-10
9048128528
ISBN-13
9789048128525
eBay Product ID (ePID)
80549093
Product Key Features
Number of Pages
Xx, 516 Pages
Publication Name
Linear-Scaling Techniques in Computational Chemistry and Physics : Methods and Applications
Language
English
Publication Year
2011
Subject
Chemistry / Physical & Theoretical, Chemistry / Computational & Molecular Modeling, Physics / Mathematical & Computational, Chemistry / General
Type
Textbook
Subject Area
Science
Series
Challenges and Advances in Computational Chemistry and Physics Ser.
Format
Hardcover
Dimensions
Item Weight
35.1 Oz
Item Length
9.3 in
Item Width
6.1 in
Additional Product Features
Intended Audience
Scholarly & Professional
Dewey Edition
22
Series Volume Number
13
Number of Volumes
1 vol.
Illustrated
Yes
Dewey Decimal
542.85
Table Of Content
Including chapters on:Linear scaling second order Møller Plesset perturbation theory.- Divide-and-conquer approaches to quantum chemistry: Theory and implementation.- Mathematical formulation of the fragment molecular orbital method.- Linear scaling for metallic systems by the Korringa-Kohn-Rostoker multiple-scattering method.- Density matrix methods in linear scaling electronic structure theory.- Methods for Hartree-Fock and density functional theory electronic structure calculations with linearly scaling processor time and memory usage.- Some thoughts on the scope of the linear scaling self-consistent field electrnic structure methods.- The linear scaling semiempirical localSCF method and the finite LMO approximation.- Molecular Tailoring: an Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters.- Local approximations for an efficient treatment of electron correlation and electron excitations in molecules.
Synopsis
"Linear-Scaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linear-scaling techniques and their applications in chemistry and physics. In order to meet the needs of a broad community of chemists and physicists, the book focuses on recent advances that extended the scope of possible exploitations of the theory. The first chapter provides an overview of the present state of the linear-scaling methodologies and their applications, outlining hot topics in this field, and pointing to expected developments in the near future. This general introduction is then followed by several review chapters written by experts who substantially contributed to recent developments in this field. The purpose of this book is to review, in a systematic manner, recent developments in linear-scaling methods and their applications in computational chemistry and physics. Great emphasis is put on the theoretical aspects of linear-scaling methods. This book serves as a handbook for theoreticians, who are involved in the development of new efficient computational methods as well as for scientists, who are using the tools of computational chemistry and physics in their research., This text systematically reviews recent developments in linear-scaling methods and their applications in computational chemistry and physics. Heavy emphasis is placed on the theoretical aspects of linear-scaling methods.
LC Classification Number
QD450-801
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