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Numerov-Cooley theory

C. E. Dykstra and D. J. Malik,. Chem. Phys., 87, 2806 (1987). Derivative Numerov-Cooley Theory. A Method for Finding Vibrationsil State Properties of Diatomic Molecules. [Pg.115]

Table 5.3 Electronic and vibrational contributions to the parallel components of the polarizability Uzz and first hyperpolarizability Pzzz obtained using the Numerov-Cooley intergration scheme at the CASSCF and CASPT2 levels of theory... Table 5.3 Electronic and vibrational contributions to the parallel components of the polarizability Uzz and first hyperpolarizability Pzzz obtained using the Numerov-Cooley intergration scheme at the CASSCF and CASPT2 levels of theory...
See other pages where Numerov-Cooley theory is mentioned: [Pg.37]    [Pg.99]    [Pg.37]    [Pg.99]    [Pg.129]    [Pg.136]    [Pg.163]    [Pg.511]    [Pg.619]    [Pg.619]    [Pg.382]   


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Numerov-Cooley

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