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Jahn-Teller effect higher order coupling

Higher Order Coupling in Some Jahn-Teller and Renner-Teller Effects... [Pg.94]

In contrast with first derivatives, second derivatives involve couplings with all states (sums over M in (A.15)) that correspond to a second-order Jahn-Teller effect. Such contributions from higher-lying states (M > 2) do not exist in a pure two-level model (see Sec. 2), but they are part of the actual MCSCF calculation, where the number of eigenstates is equal to the number of CSFs. Limiting the values of M to 0 and 1 leads to ... [Pg.197]

See other pages where Jahn-Teller effect higher order coupling is mentioned: [Pg.195]    [Pg.692]    [Pg.650]    [Pg.58]    [Pg.186]    [Pg.187]    [Pg.5565]    [Pg.90]    [Pg.314]    [Pg.77]    [Pg.180]    [Pg.198]    [Pg.494]    [Pg.428]   
See also in sourсe #XX -- [ Pg.243 , Pg.244 , Pg.245 , Pg.246 , Pg.247 ]

See also in sourсe #XX -- [ Pg.243 , Pg.244 , Pg.245 , Pg.246 , Pg.247 ]



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