含一个重组分的双组分系统的绝热微扰理论
Adiabatic perturbation theory for two-component systems with one heavy component
AI总结:
本文提出针对含一个重组分的双组分量子系统的绝热微扰理论,推导重质量倒数二阶精度的有效哈密顿量,其势可由协变导数与预解算子表示,该理论适用于电子-原子核系统,且经数值与解析验证准确。
摘要:
本文提出了针对双组分量子系统中重组分动能的微扰理论。推导了在重质量倒数二阶精度下的有效哈密顿量,其包含一种具有厄米质量张量和复矢量势的新型动能算符。有效哈密顿量中的所有势都可用协变导数和预解算子表示。该理论最突出的应用是电子-原子核系统,其准确性已在双原子分子模型中通过数值验证,并在电子振动耦合模型中通过解析验证。
英文摘要:
Perturbation theory with respect to the kinetic energy of the heavy component of a two-component quantum system is introduced. An effective Hamiltonian that is accurate to second order in the inverse heavy mass is derived. It contains a new form of kinetic energy operator with a Hermitian mass tensor and a complex-valued vector potential. All of the potentials in the effective Hamiltonian can be expressed in terms of covariant derivatives and a resolvent operator. The most salient application of the theory is to systems of electrons and nuclei. The accuracy of the theory is verified numerically in a model diatomic molecule and analytically in a vibronic coupling model.
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