Perturbative handling

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

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

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... 

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... 

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 ... 

Dimensionless parameters, Renner-Teller effect, tetraatomic molecules, perturbative handling, 642-646... 

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

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