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• W2013885943 abstract "The Renner–Teller vibronic-coupling problem of a 2Π electronic state of a linear molecule is analyzed with the inclusion of spin–orbit coupling effects. In contrast to previous investigations, the microscopic expression for the spin–orbit coupling operator is employed in the single-electron approximation. It is pointed out that there exists a linear, albeit relativistically small, vibronic-coupling term, which has not been considered so far in Renner–Teller theory. The consequences of the existence of two integrals of motion, the time-reversal operator and the relativistic vibronic angular momentum operator, are worked out. It is shown that the adiabatic electronic wave functions of the relativistic Renner–Teller problem carry a nontrivial topological phase, despite the absence of a conical intersection of the adiabatic potential-energy surfaces. The equation of motion for the nuclear amplitudes is derived in the diabatic as well as in the adiabatic representation. The nonadiabatic coupling effects in the relativistic Renner–Teller problem are analyzed and shown to be considerably more complex than in the nonrelativistic case." @default.
• W2013885943 created "2016-06-24" @default.
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• W2013885943 date "2004-05-01" @default.
• W2013885943 modified "2023-10-10" @default.
• W2013885943 title "The relativistic Renner–Teller effect revisited" @default.
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• W2013885943 doi "https://doi.org/10.1016/j.chemphys.2004.02.017" @default.
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