期刊
CHEMICAL PHYSICS LETTERS
卷 798, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.cplett.2022.139623
关键词
Ultracold collisions; Potential energy surface; Close coupling calculations; Cross-sections; Rotational rates
资金
- MoE for Prime Minister Research Fellowship, PMRF [PMRF-192002-244]
- SERB, New Delhi [SERB-CRG/2020/003006]
- IISc-NSM [DST/NSM/RD/HPC Applications/2021/14]
In this study, quantum mechanical closed coupling scattering calculations are performed to investigate rotational transitions of C-2 due to collisions with He-3 and He-4. A new C-2-He potential energy surface computed at the CCSD(T)-F12b/aug-cc-pVQZ level of theory is utilized. The results show that the heavier He-4 isotope has a larger rotational quenching cross section compared to the 3He isotope. Wigner's threshold law is observed below 10(-1) cm(-1). The findings suggest that C-2 can be cooled by collisions with He-4 buffer gas.
Quantum mechanical closed coupling scattering calculations are carried out at temperatures ranging from 10(-8) K to 100 K for studying rotational transitions of C-2 due to collisions with He-3 and He-4 employing our new C-2-He potential energy surface computed at the CCSD(T)-F12b/aug-cc-pVQZ level of theory. Among the isotopes of He, the heavier He-4 isotope has larger value of rotational quenching cross section than 3He isotope. Wigner's threshold law holds below 10(-1) cm(-1). Quenching rate coefficients suggest that C-2 can be cooled with He-4 buffer gas. The dominance of He-4 on C-2 molecule is further addressed by calculating the predissociation lifetime of C-2.
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