TY - JOUR
T1 - Continuity in symmetry and in distinguishability of states
T2 - The symmetry numbers of nonrigid molecules
AU - Breuer, Jonathan
AU - Avnir, David
PY - 2005
Y1 - 2005
N2 - We establish a connection between the concept of distinguishability of quantum states and the concept of continuity in geometric symmetry. For this purpose, we employ the continuous symmetry measure and the nuclear wave functions of a molecule, and evaluate the physical effects of deviation from geometric symmetry. We apply this tool in presenting a unified approach to assigning symmetry numbers to rigid and nonrigid molecules, and readdress, as a specific example, the evaluation of the temperature dependence of the entropy of cyclobutane and cyclohexane. We believe we show that the concept of continuity in geometric symmetry provides a more natural and practical approach to the inherent link between symmetry and entropy, compared with the classical approach.
AB - We establish a connection between the concept of distinguishability of quantum states and the concept of continuity in geometric symmetry. For this purpose, we employ the continuous symmetry measure and the nuclear wave functions of a molecule, and evaluate the physical effects of deviation from geometric symmetry. We apply this tool in presenting a unified approach to assigning symmetry numbers to rigid and nonrigid molecules, and readdress, as a specific example, the evaluation of the temperature dependence of the entropy of cyclobutane and cyclohexane. We believe we show that the concept of continuity in geometric symmetry provides a more natural and practical approach to the inherent link between symmetry and entropy, compared with the classical approach.
UR - http://www.scopus.com/inward/record.url?scp=22944455180&partnerID=8YFLogxK
U2 - 10.1063/1.1845394
DO - 10.1063/1.1845394
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AN - SCOPUS:22944455180
SN - 0021-9606
VL - 122
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 7
M1 - 074110
ER -