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Complete active space self-consistent field method

Roos B O 1987 The complete active space self-consistent field method and its applications in electronic structure calculations Adv. Chem. Phys. 69 399-445... [Pg.2200]

K. P. Lawley, Ed., chapter 69,399. John Wiley Sons Ltd., Chichester, England, 1987. The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations. [Pg.280]

B. O. Roos, The Complete Active Space Self-Consistent Field Method and Its Application in Electronic Structure Calculation, Volume 69 olAdvances in Chemical Physics, Wiley, Chichester, 1987, p. 399. [Pg.381]

B. O. Roos. The complete active space self-consistent field method and its apphca-tion in electronic structure calculations. In K. P. Lawley, editor, Ab Initio Methods in Quantum Chemistry. Part II, volume 69 of Adv. Chem. Phys., pages 399-446. John Wiley, Chichester, 1987. [Pg.501]

B.O.Roos, The Complete Active Space Self-Consistent Field Method and its Application in Electronic Structure Calculations. [Pg.254]

Complete active space - self-consistent field method... [Pg.28]

THE COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD METHOD AND ITS APPLICATIONS IN ELECTRONIC STRUCTURE CALCULATIONS... [Pg.399]

Blancafort L, Robb MA. A valence bond description of the prefulvene extended conical intersection seam of benzene. J Chem Theory Comput. 2012 8 4922-4930. Blancafort L, Celani P, Beatpark M, Robb M. A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules. Theor Chem Acc. 2003 110 92-99. [Pg.223]

Blancafort L et al (2003) A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules. Theor Chem Acc 110 92-99... [Pg.71]


See other pages where Complete active space self-consistent field method is mentioned: [Pg.711]    [Pg.317]    [Pg.428]    [Pg.215]    [Pg.147]    [Pg.124]    [Pg.13]    [Pg.152]    [Pg.428]    [Pg.107]    [Pg.170]    [Pg.69]    [Pg.124]   


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