light particle nonadiabatic coupling (first order)

Community: MathModDB

quantity

Available identifiers

MaRDI QIDQ6775400

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

Description

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

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 items linking to light particle nonadiabatic coupling (first order)

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

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