Parametric sensitivity analysis for the helium dimers on a model potential

Quimica nova

Lemes, Nelson Henrique Teixeira¹  Braga, João P.²  Sebastião, Rita C. O.²  Viterbo, Vitor D.² 

[1] Universidade Federal de Alfenas, Alfenas, Brasil;Universidade Federal de Minas Gerais, Belo Horizonte, Brasil

关键词: sensitivity analysis;    quantum scattering;    model potential.;   

DOI  :  10.1590/S0100-40422012000500009

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

Potential parameters sensitivity analysis for helium unlike molecules, HeNe, HeAr, HeKr and HeXe is the subject of this work. Number of bound states these rare gas dimers can support, for different angular momentum, will be presented and discussed. The variable phase method, together with the Levinson's theorem, is used to explore the quantum scattering process at very low collision energy using the Tang and Toennies potential. These diatomic dimers can support a bound state even for relative angular momentum equal to five, as in HeXe. Vibrational excited states, with zero angular momentum, are also possible for HeKr and HeXe. Results from sensitive analysis will give acceptable order of magnitude on potentials parameters.

【 授权许可】

CC BY