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03081cam a2200373 a 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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CUTN |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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20180412121558.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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050920s2006 nyua b 001 0 eng |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9781441939548 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9780387287805 (hardcover : alk. paper) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
0387287809 (hardcover : alk. paper) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
0387296840 (ebook) |
| 041 ## - LANGUAGE CODE |
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| Language |
English |
| 082 00 - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
541.28 |
| Edition number |
22 |
| Item number |
SIN |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Singh, David J. |
| 245 10 - TITLE STATEMENT |
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| Title |
Planewaves, pseudopotentials, and the LAPW method. |
| 250 ## - EDITION STATEMENT |
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| Edition statement |
2nd ed. / |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
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| Place of publication, distribution, etc |
New York, NY : |
| Name of publisher, distributor, etc |
Springer, |
| Date of publication, distribution, etc |
c2006. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
xiii, 134 p. : |
| Other physical details |
ill. ; |
| Dimensions |
24 cm. |
| 500 ## - GENERAL NOTE |
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| General note |
The first edition of this book, published in 1994, provided an exposition of the LAPW method and its relationship with other electronic structure approaches, especially Car-Parrinello based planewave methods. Since publication of that book, the LAPW method has been transformed from a specialized method used mostly by researchers running their own home made versions, to a popular, widely used method, where most users run standard codes to investigate ma- terials of interest to them. This is an exciting development because it opens the door to widespread use of first principles calculations in diverse areas of condensed matter physics and materials science. The positive impact of this on scientific progress is already becoming clear. Also as a result of this trend, the great majority of researchers using the LAPW method are no longer directly in- volved in the development of LAPW codes. Nonetheless, it remains important to understand how the LAPW method works, what its limitations are, and how its parameters determine the quahty and efficiency of calculations. The scientist with an understanding of how the method works has a clear advantage. This edition is an updated and expanded treatment of the LAPW method, including descriptions of key developments in the LAPW method since 1994, such as p 1/2 local orbitals, the APW-i-LO method, LDA+U calculations and non-collinear magnetism, as well as much of the material from the first edition. |
| 505 ## - FORMATTED CONTENTS NOTE |
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| Contents |
Density Functional Theory and Methods.- Planewave Pseudopotential Methods.- to the LAPW Method.- Nitty-Gritties.- Car-Parrinello and the LAPW Method. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Density functionals. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Pseudopotential method. |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
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| Personal name |
Nordström, Lars, |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
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| Source of classification or shelving scheme |
Dewey Decimal Classification |
| Koha item type |
General Books |
| 856 41 - ELECTRONIC LOCATION AND ACCESS |
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| Uniform Resource Identifier |
<a href="http://www.loc.gov/catdir/toc/fy0611/2005934277.html">http://www.loc.gov/catdir/toc/fy0611/2005934277.html</a> |
| 856 42 - ELECTRONIC LOCATION AND ACCESS |
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| Uniform Resource Identifier |
<a href="http://www.loc.gov/catdir/enhancements/fy0663/2005934277-d.html">http://www.loc.gov/catdir/enhancements/fy0663/2005934277-d.html</a> |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Fuller form of name |
(David Joseph), |
| Dates associated with a name |
1958- |
| 250 ## - EDITION STATEMENT |
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| Remainder of edition statement |
David J. Singh, Lars Nordström. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
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| Bibliography, etc |
Includes bibliographical references (p. [123]-131) and index. |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
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| Dates associated with a name |
1963- |
| 856 41 - ELECTRONIC LOCATION AND ACCESS |
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| Materials specified |
Table of contents only |
| 856 42 - ELECTRONIC LOCATION AND ACCESS |
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| Materials specified |
Publisher description |
| 906 ## - LOCAL DATA ELEMENT F, LDF (RLIN) |
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7 |
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cbc |
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orignew |
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2 |
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epcn |
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20 |
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y-gencatlg |
