TY - JOUR
T1 - Vibronic reduction factors in E ⊗ (β1 + β2) and their Berry's phase manifestations
AU - Englman, Robert
AU - Yahalom, Asher
PY - 2007/7/16
Y1 - 2007/7/16
N2 - In a linearly coupled dihedral E ⊗ (β1 + β2) Jahn-Teller system one finds two different q-factors (say, q1 and q2) and a p-factor. For stronger β1- than β2-coupling, one obtains q1 > q2 and in the strong linear vibronic coupling limit, q1 → 0.5, q2 → 0. At all strengths, the historical relation "p = 2q - 1" turns into p = q1 + q2 - 1. A slowly rotating external field induces in the electronic wave-functions, upon a full turn, a Berry's phase equal to the solid angle subtended by the field's vector at the origin. We have calculated (by employing a quasi-classical approximation to solve the dynamic problem for the ground vibronic state) the corresponding phase change, now diminished by the vibronic reduction factors.
AB - In a linearly coupled dihedral E ⊗ (β1 + β2) Jahn-Teller system one finds two different q-factors (say, q1 and q2) and a p-factor. For stronger β1- than β2-coupling, one obtains q1 > q2 and in the strong linear vibronic coupling limit, q1 → 0.5, q2 → 0. At all strengths, the historical relation "p = 2q - 1" turns into p = q1 + q2 - 1. A slowly rotating external field induces in the electronic wave-functions, upon a full turn, a Berry's phase equal to the solid angle subtended by the field's vector at the origin. We have calculated (by employing a quasi-classical approximation to solve the dynamic problem for the ground vibronic state) the corresponding phase change, now diminished by the vibronic reduction factors.
KW - Berry's phase
KW - Dihedral symmetry
KW - Vibronic reduction
UR - http://www.scopus.com/inward/record.url?scp=34249300965&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2006.12.048
DO - 10.1016/j.molstruc.2006.12.048
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AN - SCOPUS:34249300965
SN - 0022-2860
VL - 838
SP - 24
EP - 26
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
IS - 1-3
ER -