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|a 0521815916 (hbk.)
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|a 9780521815918 (hbk.)
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|a 541.22
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|a Kohanoff, Jorge José.
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| 245 |
1 |
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|a Electronic structure calculations for solids and molecules :
|b theory and computational methods /
|c Jorge Kohanoff.
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| 260 |
|
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|a Cambridge, UK ;
|a New York :
|b Cambridge University Press,
|c 2006.
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| 300 |
|
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|a xxii, 348 p. :
|b ill. ;
|c 26 cm.
|
| 504 |
|
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|a Includes bibliographical references and index.
|
| 505 |
0 |
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|a The problem of the structure of matter -- The electronic problem -- Quantum many-body theory: chemical approaches -- Density functional theory -- Exchange and correlation in DFT: approximations and their performances -- solving the electronic problem in practice -- Atomic pseudopotentials -- Basis sets -- Electronic structure methods -- simplified approaches to the electronic problem -- Diagonalization and electronic self-consistency -- First-principles molecular dynamics (Car-Parrinello).
|
| 650 |
|
0 |
|a Hartree-Fock approximation.
|
| 650 |
|
0 |
|a Density functionals.
|
| 650 |
|
0 |
|a Condensed matter
|x Computer simulation.
|
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|i Minnesota State University Moorhead
|t BKS
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|c QD462.6.D45 K64 2006
|b 30104009296249
|x BOOK
|y 2332136400004300
|p LOANABLE
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