Semiclassical WUG corrections to the interaction energy of two coupled dipoles at low temperatures

Battezzati M.; Magnasco V.

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Semiclassical WUG corrections to the interaction energy of two coupled dipoles at low temperatures

机译：对两个耦合偶极子在低温下的相互作用能进行半经典WUG校正

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Quantum corrections in the moderately low-temperature régime to the interaction potential energy of two permanent molecular dipoles are evaluated through the Wigner-Uhlenbeck-Gropper (WUG) semiclassical expansion of the density matrix, whose leading term is proportional to ?~2, the dipoles being assumed in oscillatory motion around their position of minimum energy. Application of the resulting formulae to the ground states of a few heteropolar diatomic molecules and radicals shows that the quantum correction is not negligible, being particularly relevant for BH and OH.

机译：通过密度矩阵的Wigner-Uhlenbeck-Gropper（WUG）半经典展开来评估适度低温条件下对两个永久分子偶极子相互作用能的量子校正，偶极子的超前项与α〜2成正比。被假定为在其最小能量位置附近发生振荡运动。将所得分子式应用于一些异极性双原子分子和自由基的基态表明，量子校正不可忽略，与BH和OH特别相关。

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《Chemical Physics Letters》 |2010年第3期|共4页
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Battezzati M.; Magnasco V.;
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Semiclassical WUG corrections to the interaction energy of two coupled dipoles at low temperatures

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