Interaction of NH(X 3Sigma-) with He: potential energy surface, bound states, and collisional Zeeman relaxation.
نویسندگان
چکیده
A detailed analysis of the He-NH((3)Sigma(-)) van der Waals complex is presented. We discuss ab initio calculations of the potential energy surface and fitting procedures with relevance to cold collisions, and we present accurate calculations of bound energy levels of the triatomic complex as well as collisional properties of NH molecules in a buffer gas of (3)He. The influence of the external magnetic field used to trap the NH molecules and the effect of the atom-molecule interaction potential on the collisionally induced Zeeman relaxation are explored. It is shown that minute variations of the interaction potential due to different fitting procedures may alter the Zeeman relaxation rate at ultralow temperatures by as much as 50%.
منابع مشابه
Interaction of NH „ X 3 S − ... with He : Potential energy surface , bound states , and collisional Zeeman relaxation
A detailed analysis of the He–NHsSd van der Waals complex is presented. We discuss ab initio calculations of the potential energy surface and fitting procedures with relevance to cold collisions, and we present accurate calculations of bound energy levels of the triatomic complex as well as collisional properties of NH molecules in a buffer gas of He. The influence of the external magnetic fiel...
متن کاملFull dimension Rb2He ground triplet potential energy surface and quantum scattering calculations.
We have developed a three-dimensional potential energy surface for the lowest triplet state of the Rb(2)He complex. A global analytic fit is provided as in the supplementary material [see supplementary material at http://dx.doi.org/10.1063/1.4709433 for the corresponding Fortran code]. This surface is used to perform quantum scattering calculations of (4)He and (3)He colliding with (87)Rb(2) in...
متن کاملMagnetic Trapping and Zeeman Relaxation of NH
NH radicals are magnetically trapped and their Zeeman relaxation and energy transport collision cross sections with helium are measured. Continuous buffer-gas loading of the trap is direct from a roomtemperature molecular beam. The Zeeman relaxation (inelastic) cross section of magnetically trapped electronic, vibrational, and rotational ground state NH molecules in collisions with 3He is measu...
متن کاملFormation and dynamics of van der Waals molecules in buffer-gas traps.
We show that weakly bound He-containing van der Waals molecules can be produced and magnetically trapped in buffer-gas cooling experiments, and provide a general model for the formation and dynamics of these molecules. Our analysis shows that, at typical experimental parameters, thermodynamics favors the formation of van der Waals complexes composed of a helium atom bound to most open-shell ato...
متن کاملPhysical adsorption between mono and diatomic gases inside of Carbon nanotube with respect to potential energy
In this paper we have down three theoretical study by using Monte Carlo simulation and Mm+,AMBER and OPLS force field. The calculations were carried out using Hyper Chem professional,release 7.01 package of program. first we have studied the interaction of H2 molecule and He atomwith single-walled carbon nanotube at different temperature. For doing this study we placed H2 andHe in the center an...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- The Journal of chemical physics
دوره 122 9 شماره
صفحات -
تاریخ انتشار 2005