Light Particle Nonadiabatic Coupling 1 (Q6775400)

first order nonadiabatic coupling of the light particle(s) quantum states induced by heavy particle(s) dynamics in quantum-classical models

Language	Label	Description	Also known as
English	Light Particle Nonadiabatic Coupling 1	first order nonadiabatic coupling of the light particle(s) quantum states induced by heavy particle(s) dynamics in quantum-classical models

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\begin{matrix} d_{n m}^{k} & \equiv & ⟨ ϕ_{n} (R) | \nabla_{R_{k}} | ϕ_{m} (R) ⟩_{r} \\ d_{n n}^{k} & = & 0 \\ d_{n m}^{k} & = & - {(d_{m n}^{k})}^{*} \end{matrix}

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R

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ϕ

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m

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n

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r

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d

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Note that the ﬁrst-order coupling tensor is anti-Hermitian with respect to interchange of the adiabatic state indices

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