MARC details
| 000 -LEADER |
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| fixed length control field |
01778nam a2200289 a 4500 |
| 001 - CONTROL NUMBER |
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| control field |
vtls000043298 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
KUKTEM |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20251117150454.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
090904t2009 njuda 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
0470373172 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
9780470373170 |
| 039 #9 - LEVEL OF BIBLIOGRAPHIC CONTROL AND CODING DETAIL [OBSOLETE] |
|---|
| Level of rules in bibliographic description |
201107132350 |
| Level of effort used to assign nonsubject heading access points |
VLOAD |
| Level of effort used to assign subject headings |
201010141625 |
| Level of effort used to assign classification |
jamie |
| Level of effort used to assign subject headings |
201010071249 |
| Level of effort used to assign classification |
Fida |
| Level of effort used to assign subject headings |
200909040958 |
| Level of effort used to assign classification |
shikin |
| -- |
200909040958 |
| -- |
shikin |
| 040 ## - CATALOGING SOURCE |
|---|
| Original cataloging agency |
UMP |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN) |
|---|
| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) |
QC20.7 .D43 S56 2009 |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Sholl, David S. |
| 245 10 - TITLE STATEMENT |
|---|
| Title |
Density functional theory : |
| Remainder of title |
a practical introduction / |
| Statement of responsibility, etc. |
David S. Sholl and Jan Stecket |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
|---|
| Place of publication, distribution, etc. |
Hoboken, N.J. : |
| Name of publisher, distributor, etc. |
Wiley, |
| Date of publication, distribution, etc. |
c2009 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
xii, 238 p. : |
| Other physical details |
ill. ; |
| Dimensions |
25 cm. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
|---|
| Bibliography, etc. note |
Includes bibliographical references and index |
| 505 0# - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
What Is Density Functional Theory? -- DFT Calculations for Simple Solids -- Nuts and Bolts of DFT Calculations -- DFT Calculations for Surfaces of Solids -- DFT Calculations of Vibrational Frequencies -- Calculating Rates of Chemical Processes Using Transition State Theory -- Equilibrium Phase Diagrams from Ab Initio Thermodynamics -- Electronic Structure and Magnetic Properties -- Ab Initio Molecular Dynamics -- Accuracy and Methods beyond "Standard" Calculations |
| 520 8# - SUMMARY, ETC. |
|---|
| Summary, etc. |
This work provides a brief, readable introduction to the key concepts and practical applications of DFT, at a level suitable for individuals who have never performed DFT calculations before. It includes worked examples and problems sets which will test the reader’s ability to apply what they’ve learned |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Density functionals |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Mathematical physics |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Quantum chemistry |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Steckel, Janice A. |