Quantum description of a rotating and vibrating molecule

A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely quantum framework by defining a molecular orientation operator. Canonical rotational commutation relations are established explicitly. Moreover, physical constraints are imposed on the observables in order to define the state of a molecular system located in the neighborhood of the ground state defined by the equilibrium condition.


Published in:
European Physical Journal d Atomic Molecular and Optical Physics, 69, 180, 1-28
Year:
2015
Publisher:
New York, Springer Verlag
ISSN:
1434-6060
Laboratories:




 Record created 2015-08-05, last modified 2018-03-17

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