Light particle nonadiabatic coupling (first order)

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

Community MathModDB

quantity

MaRDI QIDQ6775400FDO

Description

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

Defining formula

Defining Formula: $\begin{array}{ccc}{d}_{nm}^k& \equiv & ⟨{\varphi }_n(R)|{\mathrm{\nabla }}_{R_k}|{\varphi }_m(R){⟩}_r\\ d_{nn}^k& =& 0\\ d_{nm}^k& =& -{\left(d_{mn}^k\right)}^{\ast }\end{array}$

$R$ symbol represents heavy particle position

$\varphi$ symbol represents light particle eigen state

$m$ symbol represents quantum number

$n$ symbol represents quantum number

$r$ symbol represents light particle position

$d$ symbol represents light particle nonadiabatic coupling (first order)

Further links

Item	Property
light particle nonadiabatic coupling (first order)	symbol represents
light particle nonadiabatic probability 1	symbol represents

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