Light Particle Nonadiabatic Coupling 1

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

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

$R$ 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 1

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