- Tytuł:
- Quantitative Analysis of Vibration-Rotational Spectra of Diatomic Molecules with (v,j)-Dependent Dynamical Reference Conformation. Application to LiH X$\text{}^{1}$Σ$\text{}^{+}$
- Autorzy:
- Molski, M.
- Powiązania:
- https://bibliotekanauki.pl/articles/2011153.pdf
- Data publikacji:
- 1999-12
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
33.15.Mt
33.20.Vq - Opis:
- An extension of deformationally self-consistent approach to a quantitative analysis of adiabatic and nonadiabatic effects in vibration-rotational spectra of diatomic molecules is presented. We consider vibrational displacements of nuclei in the vicinity of dynamical reference conformation R$\text{}_{vJ}$ that depends not only on the rotational quantum number J through the action of centrifugal force, but also on the vibrational v one, through nonadiabatic vibrational effects of high order. The method is applied to LiH X$\text{}^{1}$Σ$\text{}^{+}$; reported wave numbers of transitions are reproduced with σ̂=1.090 and F=5.98×10$\text{}^{14}$ using 14 independently adjusted parameters and 14 constrained parameters t$\text{}_{i=0-6}^{Li,H}$, representing nonadiabatic rotational effects. The latter have been evaluated from the rotational g-factor and electric dipole moment of LiH, both electronically computed.
- Źródło:
-
Acta Physica Polonica A; 1999, 96, 6; 713-723
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki