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Triatomic molecules pragmatic models

We employ the general scheme presented above as a starting point in our discussion of various approaches for handling the R-T effect in triatomic molecules. We And it reasonable to classify these approaches into three categories according to the level of sophistication at which various aspects of the problem are handled. We call them (1) minimal models (2) pragmatic models (3) benchmark treatments. The criterions for such a classification are given in Table I. [Pg.489]

II electronic states, 634-640 theoretical background, 625-626 triatomic molecules, 611-615 pragmatic models, 620-621 Ab initio multiple spawning (AIMS) conical intersection location, 491-492 direct molecular dynamics, 411-414 theoretical background, 360-361 Adiabatic approximation geometric phase theory ... [Pg.66]

Jungen-Merer (JM) pragmatic model, Renner-Teller effect, triatomic molecules, 619-621... [Pg.83]

II electronic states, 638-640 vibronic coupling, 628-631 triatomic molecules, 594-598 Hamiltonian equations, 612-615 pragmatic models, 620-621 Kramers doublets, geometric phase theory linear Jahn-Teller effect, 20-22 spin-orbit coupling, 20-22 Kramers-Kronig reciprocity, wave function analycity, 201 -205 Kramers theorem ... [Pg.83]

Potential fluid dynamics, molecular systems, modulus-phase formalism, quantum mechanics and, 265—266 Pragmatic models, Renner-Teller effect, triatomic molecules, 618-621 Probability densities, permutational symmetry, dynamic Jahn-Teller and geometric phase effects, 705-711 Projection operators, geometric phase theory, eigenvector evolution, 16-17 Projective Hilbert space, Berry s phase, 209-210... [Pg.94]


See other pages where Triatomic molecules pragmatic models is mentioned: [Pg.90]    [Pg.90]    [Pg.69]    [Pg.81]   
See also in sourсe #XX -- [ Pg.618 , Pg.619 , Pg.620 ]

See also in sourсe #XX -- [ Pg.618 , Pg.619 , Pg.620 ]




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