Handbook of computational quantum chemistry
This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equa...
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| Main Author: | |
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| Format: | eBook |
| Language: | English |
| Published: |
Mineola, N.Y. :
Dover Publications,
©2005.
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| Edition: | Dover ed. |
| Subjects: | |
| ISBN: | 9780486132396 0486132390 9781621986089 162198608X 1621987310 9781621987314 0486443078 9780486443072 |
| Physical Description: | 1 online resource (xxiv, 805 pages) |
| Summary: | This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition. |
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| Item Description: | Originally published: Oxford; New York : Oxford University Press, 1998. |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9780486132396 0486132390 9781621986089 162198608X 1621987310 9781621987314 0486443078 9780486443072 |
| Access: | Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty |
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