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01939cam a2200325 a 4500 |
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120522s2012 enka b 000 0 eng d |
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|a 2012940357
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|a GBB211756
|2 bnb
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7 |
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|a 016025797
|2 Uk
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| 020 |
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|a 0199575800 (hbk.)
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| 020 |
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|a 9780199575800 (hbk.)
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| 035 |
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|a (OCoLC)ocn776772525
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|a lccopycat
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| 082 |
0 |
4 |
|a 620.11297
|2 23
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| 100 |
1 |
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|a Ching, Wai-Yim.
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| 245 |
1 |
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|a Electronic structure methods for complex materials :
|b the orthogonalized linear combination of atomic orbitals /
|c Wai-Yim Ching and Paul Rulis, Unviersity of Missouri-Kansas City, USA.
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| 250 |
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|a 1st ed.
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| 260 |
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|a Oxford :
|b Oxford University Press,
|c 2012.
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| 300 |
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|a xiii, 310 p. :
|b ill. ;
|c 25 cm.
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| 504 |
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|a Includes bibliographical references and index.
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| 505 |
0 |
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|a 1. Electronic structure methods in materials theory -- 2. Historical account of the LCAO method -- 3. Basic theory and techniques of the OLCAO method -- 4. Calculation of physical properties using the OLCAO method -- 5. Application to semiconductors and insulators -- 6. Application to crystalline metals and alloys -- 7. Application to complex crystals -- 8. Application to non-crystalline solids and liquids -- 9. Application to impurities, defects, and surfaces -- 10. Application to biomolecular systems -- 11. Application to core level spectroscopy -- 12. Enhancement and extension of the OLCAO method -- Appendices.
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| 650 |
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0 |
|a Density functionals.
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| 650 |
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0 |
|a Electronic structure
|x Mathematical models.
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| 650 |
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0 |
|a Materials
|x Testing.
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| 700 |
1 |
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|a Rulis, Paul Michael,
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| 906 |
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|a 7
|b cbc
|c copycat
|d 2
|e ncip
|f 20
|g y-gencatlg
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| 942 |
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|c BK
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| 955 |
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|b rl47 2013-07-12 z-processor
|i rl47 2013-07-12 to Dewey
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| 999 |
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|c 169469
|d 169469
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| 952 |
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|0 0
|1 0
|2 ddc
|4 0
|6 620_112970000000000_CHI_E
|7 0
|9 187991
|a PHY
|b PHY
|c ST1
|d 2017-11-15
|e Book shop, University of Calicut
|g 5481.36
|i 5591
|l 0
|o 620.11297 CHI/E
|p PHY5591
|r 2017-11-15
|v 7613.00
|y BK
|