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Linear-Scaling Techniques in Computational Chemistry and Physics (Record no. 28129)

000 -LEADER
fixed length control field 03599nam a22004335i 4500
003 - CONTROL NUMBER IDENTIFIER
control field OSt
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20140310153335.0
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr nn 008mamaa
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 110319s2011 ne | s |||| 0|eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9789048128532
978-90-481-2853-2
050 #4 - LIBRARY OF CONGRESS CALL NUMBER
Classification number QD450-801
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 541.2
Edition number 23
264 #1 -
-- Dordrecht :
-- Springer Netherlands :
-- Imprint: Springer,
-- 2011.
912 ## -
-- ZDB-2-CMS
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Zalesny, Robert.
Relator term editor.
245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE
Title Linear-Scaling Techniques in Computational Chemistry and Physics
Medium [electronic resource] :
Remainder of title Methods and Applications /
Statement of responsibility, etc edited by Robert Zalesny, Manthos G. Papadopoulos, Paul G. Mezey, Jerzy Leszczynski.
300 ## - PHYSICAL DESCRIPTION
Extent XX, 516 p.
Other physical details online resource.
440 1# - SERIES STATEMENT/ADDED ENTRY--TITLE
Title Challenges and Advances in Computational Chemistry and Physics ;
Volume number/sequential designation 13
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note 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.
520 ## - SUMMARY, ETC.
Summary, etc Computational chemistry methods have become increasingly important in recent years, as manifested by their rapidly extending applications in a large number of diverse fields. The ever-increasing size of the systems one wants to study leads to the development and application of methods, which provide satisfactory answers at a manageable computational cost. An important variety of computational techniques for large systems are represented by the linear-scaling techniques, that is, by methods where the computational cost scales linearly with the size of the system. This monograph is a collection of chapters, which report the state-of-the-art developments and applications of many important classes of linear-scaling methods. Linear-Scaling Techniques in Computational Chemistry and Physics: Methods and Applications serves as a handbook for theoreticians who are involved in the development of new and efficient computational methods as well as for scientists who use the tools of computational chemistry and physics in their research
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemistry.
Topical term or geographic name as entry element Chemistry.
Topical term or geographic name as entry element Theoretical and Computational Chemistry.
Topical term or geographic name as entry element Theoretical, Mathematical and Computational Physics.
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Papadopoulos, Manthos G.
Relator term editor.
Personal name Mezey, Paul G.
Relator term editor.
Personal name Leszczynski, Jerzy.
Relator term editor.
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element SpringerLink (Online service)
773 0# - HOST ITEM ENTRY
Title Springer eBooks
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Display text Printed edition:
International Standard Book Number 9789048128525
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier http://dx.doi.org/10.1007/978-90-481-2853-2
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Item type E-Book
Copies
Price effective from Permanent location Date last seen Not for loan Date acquired Source of classification or shelving scheme Koha item type Damaged status Lost status Withdrawn status Current location Full call number
2014-04-14AUM Main Library2014-04-14 2014-04-14 E-Book   AUM Main Library541.2