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Multiconfigurational quantum chemistry
~
Lindh, Roland, (1958-)
Multiconfigurational quantum chemistry
紀錄類型:
書目-電子資源 : Monograph/item
正題名/作者:
Multiconfigurational quantum chemistryProf. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov and Per-Olof Widmark.
作者:
Roos, B. O.
其他作者:
Lindh, Roland,
出版者:
Hoboken, New Jersey :Wiley,2016.
面頁冊數:
1 online resource.
標題:
Quantum chemistryCongresses.
電子資源:
http://onlinelibrary.wiley.com/book/10.1002/9781119126171
ISBN:
9781119126171 (electronic bk.)
Multiconfigurational quantum chemistry
Roos, B. O.
Multiconfigurational quantum chemistry
[electronic resource] /Prof. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov and Per-Olof Widmark. - Hoboken, New Jersey :Wiley,2016. - 1 online resource.
Includes bibliographical references and index.
Mathematical background -- Molecular orbital theory -- Hartree-Fock theory -- Relativistic effects -- Basis sets -- Second quantization and multiconfigurational wave functions -- Electron correlation -- Multiconfigurational SCF theory -- The RAS State-Interaction method -- The multireference CI method -- Multi-configurational reference perturbation theory -- CASPT2/CASSCF applications.
ISBN: 9781119126171 (electronic bk.)
LCCN: 2016015079Subjects--Topical Terms:
444671
Quantum chemistry
--Congresses.Index Terms--Genre/Form:
214472
Electronic books.
LC Class. No.: QD462 / 2016
Dewey Class. No.: 541/.28
Multiconfigurational quantum chemistry
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http://onlinelibrary.wiley.com/book/10.1002/9781119126171
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