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Perturbative handling

Appendix A Perturbative Handling of the Renner—Teller Effect and Spin-Orbit Coupling in n Electronic States of Tetraatomic Molecules... [Pg.476]

APPENDIX A PERTURBATIVE HANDLING OF THE RENNER-TELLER EFFECT AND SPIN-ORBIT COUPLING IN n ELECTRONIC STATES OF TETRAATOMIC MOLECULES... [Pg.533]

We introduce the dimensionless bending coordinates qr = t/XrPr anti qc = tAcPc ith Xt = (kT -r) = PrOir, Xc = sJ kcPc) = Pc nc. where cor and fOc are the harmonic frequencies for pure trans- and cis-bending vibrations, respectively. After integrating over 0, we obtain the effective Hamiltonian H = Ho + H, which is employed in the perturbative handling of the R-T effect and the spin-orbit coupling. Its zeroth-order pait is of the foim... [Pg.534]

In other cases, the zeroth-order vibronic levels are generally more than twofold degenerate and the perturbative handling is much more complicated. An exception is the case 07= , U( =li K = 0 with the twofold degenerate zeroth-order level. The basis functions are 1 1 1 1 —) = 1) and 1 —1 1 —l- -)s 2). The zeroth-order energy is... [Pg.544]

Hamiltonian equations, 627-628 perturbative handling, 641-646 II electronic states, 631-633 vibronic coupling, 630-631 ABC bond angle, Renner-Teller effect, triatomic molecules, 611-615 ABCD bond angle, Renner-Teller effect, tetraatomic molecules, 626-628 perturbative handling, 641-646 II electronic states, 634-640 vibronic coupling, 630-631 Abelian theory, molecular systems, Yang-Mills fields ... [Pg.66]

Dimensionless parameters, Renner-Teller effect, tetraatomic molecules, perturbative handling, 642-646... [Pg.74]

ABBA models, 631-633 Hamiltonian equations, 626-628 HCCS radical, 633-640 perturbative handling, 641-646 theoretical background, 625-626 triatomic molecules ... [Pg.92]


See other pages where Perturbative handling is mentioned: [Pg.533]    [Pg.66]    [Pg.68]    [Pg.73]    [Pg.95]    [Pg.95]    [Pg.98]    [Pg.100]    [Pg.104]    [Pg.104]    [Pg.641]    [Pg.641]    [Pg.642]   
See also in sourсe #XX -- [ Pg.641 , Pg.642 , Pg.643 , Pg.644 , Pg.645 ]




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Basis functions perturbative handling

Renner-Teller effect perturbative handling

Spin-orbit coupling perturbative handling

Tetraatomic molecules perturbative handling

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