Strong Coriolis coupling between and states of studied by millimeter-wave spectroscopy

Kisiel, Zbigniew; Pszczółkowski, L.; Cazzoli, G.; Dore, Luca

doi:10.1016/j.jms.2008.03.006

Cited by 7 publications

(6 citation statements)

References 24 publications

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“…As mentioned in Ref. [20], the use of SPFIT/SPCAT package for treating l-doubled states is less familiar; therefore, we refer interested readers to Ref. [20] for an example of application to an oblate rotor, while a summary of the identifiers employed in the case of a prolate top can be find in Table 5.…”

Section: Resultsmentioning

confidence: 99%

Rotational spectrum of the v11=1 and v14=1 vibrational states of CH3CCCCH

Cazzoli¹,

Puzzarini²

2009

Journal of Molecular Spectroscopy

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Section: Resultsmentioning

confidence: 99%

Rotational spectrum of the v11=1 and v14=1 vibrational states of CH3CCCCH

Cazzoli¹,

Puzzarini²

2009

Journal of Molecular Spectroscopy

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“…Using the relation (17)and the definition (20), the expression (88) of the kinetic energy operator T is recast as,…”

Section: Appendix F: Commutation Relations Of the Internal Observablesmentioning

confidence: 99%

Quantum description of a rotating and vibrating molecule

et al. 2015

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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.

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“…The fits were carried with the SPFIT program of Pickett [25,26], and the parameters for degenerate modes were set up as discussed in Refs. [3,11,27]. The spectroscopic parameters for the v 13 = 1, v 12 = 1, and v 7 = 1 vibrational states of CH 3 CCCCH are obtained from a nonlinear least-squares fitting procedure in which each assigned transition has been weighted proportionally to the inverse square of its experimental uncertainty.…”

Section: Tablementioning

confidence: 99%