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" Multiconfigurational quantum chemistry / "
Prof. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov and Per-Olof Widmark
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BL
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| Record Number
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657512
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dltt
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| Main Entry
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Roos, B. O., (Björn O.)
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Multiconfigurational quantum chemistry /\ Prof. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov and Per-Olof Widmark
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1 online resource
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| ISBN
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9781119126171
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: 1119126177
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: 9781119277873
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: 1119277876
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: 9781119277880
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: 1119277884
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9780470633465 (cloth)
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Includes bibliographical references and index
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| Contents
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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
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Quantum chemistry, Textbooks.
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| Dewey Classification
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541/.28
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| LC Classification
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QD462
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Lindh, Roland,1958-
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Malmqvist, Per Åke,1963-
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Veryazov, Valera,1963-
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Widmark, Per-Olof,1956-
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Ohio Library and Information Network.
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