Linear-Scaling Techniques in Computational Chemistry and Physics (Record no. 108923)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 03774nam a22004695i 4500 |
| 001 - CONTROL NUMBER | |
| control field | 978-90-481-2853-2 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | DE-He213 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20140220083822.0 |
| 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 |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1007/978-90-481-2853-2 |
| Source of number or code | doi |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | QD450-801 |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | PNRP |
| Source | bicssc |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | SCI013050 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541.2 |
| Edition number | 23 |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Zalesny, Robert. |
| Relator term | editor. |
| 245 10 - TITLE STATEMENT | |
| 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. |
| 264 #1 - | |
| -- | Dordrecht : |
| -- | Springer Netherlands : |
| -- | Imprint: Springer, |
| -- | 2011. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | XX, 516 p. |
| Other physical details | online resource. |
| 336 ## - | |
| -- | text |
| -- | txt |
| -- | rdacontent |
| 337 ## - | |
| -- | computer |
| -- | c |
| -- | rdamedia |
| 338 ## - | |
| -- | online resource |
| -- | cr |
| -- | rdacarrier |
| 347 ## - | |
| -- | text file |
| -- | |
| -- | rda |
| 490 1# - SERIES STATEMENT | |
| Series statement | 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. |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Chemistry. |
| 650 24 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Theoretical and Computational Chemistry. |
| 650 24 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| 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. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Mezey, Paul G. |
| Relator term | editor. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| 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 |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | Challenges and Advances in Computational Chemistry and Physics ; |
| Volume number/sequential designation | 13 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | http://dx.doi.org/10.1007/978-90-481-2853-2 |
| 912 ## - | |
| -- | ZDB-2-CMS |
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