The anisotropic interactions of three polar molecules-CO, HF, and LiH-with He atoms (in their ground electronic states), obtained from accurate ab initio calculations that explicitly include their vibration-to-translation coupling terms are analyzed in detail, to compare their relative features. The q uantum scattering calculations of their rotovibrational inelastic cross sections are conducted using a recently proposed multichannel treatment, the modifi ed variable phase method, that has been implemented by the authors and applied here to ultralow collision energies. A comparison of the different relaxatio n efficiencies exhibited by the three title molecules in releasing their internal vibrational energy during ultracold collisions with He-4 and He-3 buffer gas is performed in detail and specific suggestions for experimental choices are extracted from these findings.
Collisional cooling of polar diatomics in He-3 and He-4 buffer gas: A quantum calculation at ultralow energies / Bodo, Enrico; Gianturco, Francesco Antonio. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 107:(2003), pp. 7328-7336. [10.1021/jp030303q]
Collisional cooling of polar diatomics in He-3 and He-4 buffer gas: A quantum calculation at ultralow energies
BODO, Enrico;GIANTURCO, Francesco Antonio
2003
Abstract
The anisotropic interactions of three polar molecules-CO, HF, and LiH-with He atoms (in their ground electronic states), obtained from accurate ab initio calculations that explicitly include their vibration-to-translation coupling terms are analyzed in detail, to compare their relative features. The q uantum scattering calculations of their rotovibrational inelastic cross sections are conducted using a recently proposed multichannel treatment, the modifi ed variable phase method, that has been implemented by the authors and applied here to ultralow collision energies. A comparison of the different relaxatio n efficiencies exhibited by the three title molecules in releasing their internal vibrational energy during ultracold collisions with He-4 and He-3 buffer gas is performed in detail and specific suggestions for experimental choices are extracted from these findings.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.