HeH+体系光缔合反应的动力学研究

doi:10.19596/j.cnki.1001-246x.7750

计算物理 ›› 2018, Vol. 35 ›› Issue (3): 343-349.DOI: 10.19596/j.cnki.1001-246x.7750

HeH⁺体系光缔合反应的动力学研究

王彬彬, 韩永昌

大连理工大学物理学院, 辽宁大连 116024

收稿日期:2017-08-31 修回日期:2017-09-04 出版日期:2018-05-25 发布日期:2018-05-25
通讯作者: 韩永昌,E-mail:ychan@dlut.edu.cn
作者简介:王彬彬(1988-),男,博士研究生,研究方向为激光与冷原子的相互作用和多原子体系的碰撞过程,E-mail:pholewinck@mail.dlut.edu.cn
基金资助:
国家自然科学基金（21473018）资助项目

Wavepacket Dynamics Study of Photoassociation Reaction of HeH⁺ System

WANG Binbin, HAN Yongchang

Department of Physics, Dalian University of Technology, Dalian 116024, China

Received:2017-08-31 Revised:2017-09-04 Online:2018-05-25 Published:2018-05-25

摘要/Abstract

摘要： 采用含时量子波包方法研究基电子态HeH⁺体系优化的光缔合几率，即He+H⁺→HeH⁺随碰撞粒子对初始动量的变化，并研究伴随该过程的多光子跃迁和解离.选取v=6振动能级为目标态，通过优化激光场参数得到碰撞粒子对的最优光缔合几率.结果表明：随着碰撞粒子对初始动量的增加，光缔合所用的最优激光场的持续时间逐渐减少，但光场的强度和失谐逐渐增加.在某些初始碰撞动量附近，由于共振多光子跃迁过程的存在，最优的光场不能严格地将碰撞粒子对缔合到目标态.此外，研究表明随着初始动量的增加，系统的超阈值解离几率近似线性地增加到一个最大值，直至饱和强度.并且，在碰撞粒子对的初始动量较大时，超阈值解离主导解离过程.

关键词: 含时量子波包方法, 光缔合, 多光子跃迁, 解离碎片, 超阈值解离

Abstract: Optimal photoassociation (PA) reactions of He+H⁺→HeH⁺ in electronic ground state, together with relevant multiphoton transition and dissociation processes, are investigated with time-dependent quantum wavepacket method. Level v=6 is set to target state and optimal PA probability of this level is obtained by optimizing laser parameters. It is shown that with increase of initial collision momentum of collision pair optimal laser duration is decreasing, but laser intensity and detuning increasing. Due to resonance multiphoton transition process, other bound levels may be resided after PA process at some collision momenta. In addition, above threshold dissociation increases linearly up to a maximum, then decrease to a saturation value and dominates dissociation processes at relative greater initial collision momentum.

Key words: time-dependent quantum wavepacket method, photoassociation, multiphoton transitions, dissociation fragments, above threshold dissociation

中图分类号:

O562

王彬彬, 韩永昌. HeH⁺体系光缔合反应的动力学研究[J]. 计算物理, 2018, 35(3): 343-349.

WANG Binbin, HAN Yongchang. Wavepacket Dynamics Study of Photoassociation Reaction of HeH⁺ System[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2018, 35(3): 343-349.

参考文献

[1] FIORETTI A, COMPARAT D, et al. Formation of cold Cs₂ molecules through photoassociation[J]. Physical Review Letters, 1998, 80(20):4402-4405.
[2] NIKOLOV A N, ENSHER J R, et al. Efficient production of ground-state potassium molecules at sub-mK temperatures by two-step photoassociation[J]. Physical Review Letters, 2000, 84(2):246-249.
[3] SAGE J M, SAINIS S, et al. Optical production of ultracold polar molecules[J]. Physical Review Letters, 2005, 94(20):203001(4).
[4] SHAPIRO E A, SHAPIRO M, et al. Photoassociation adiabatic passage of ultracold Rb atoms to form ultracold Rb₂ molecules[J]. Physical Review A, 2007, 75(1):013405(9).
[5] ZHANG W, WANG G R, et al. Efficient photoassociation with a train of asymmetric laser pulses[J]. Physical Review A, 2011, 83(4):045401(4).
[6] RYBAK L, AMARAN S, et al. Generating molecular rovibrational coherence by two-photon femtosecond photoassociation[J]. Physical Review Letters, 2011, 107(27):273001(5).
[7] LI Y H, GUO W. Photoelectron spectra of four-level ladder molecules:Effect of femtosecond laser parameters[J]. Chinese Journal of Computational Physics, 2016, 33(4):453-459.
[8] GUO W, BAI J, LI Y H. Effect of femtosecond laser parameters on state populations of nonadiabatic coupling molecules[J]. Chinese Journal of Computational Physics, 2017, 34(1):119-125.
[9] FIORETTI A, GABBANINI C, et al. Experimental study of the formation of ultracold RbCs molecules by short-range photoassociation[J]. Physical Review A, 2013, 87(5):054701(4).
[10] ANDERSON D A, MILLER S A, et al. Photoassociation of long-range nD Rydberg molecules[J]. Physical Review Letters, 2014, 112(16):163201(5).
[11] RYBAK L, AMITAY Z, et al. Femtosecond coherent control of thermal photoassociation of magnesium atoms[J]. Faraday Discussions, 2011, 153:383-394.
[12] KOCH C P, KOSLOFF R, et al. Making ultracold molecules in a two-color pump-dump photoassociation scheme using chirped pulses[J]. Physical Review A, 2006, 73(3):033408(13).
[13] WANG B B, HANG Y C, et al. Molecular alignment effect on the photoassociation process via a pump-dump scheme[J]. The Journal of Chemical Physics, 2015, 143(9):094303(9).
[14] ZHANG W, HUANG Y, et al. Efficient photoassociation with a slowly-turned-on and rapidly-turned-off laser field[J]. Physical Review A, 2010, 82(6):063411(4).
[15] LUC-KOENIG E, KOSLOFF R, et al. Photoassociation of cold atoms with chirped laser pulses:Time-dependent calculations and analysis of the adiabatic transfer within a two-state model[J]. Physical Review A, 2004, 70(3):033414(19).
[16] HU X J, XIE T, et al. Feshbach-optimized photoassociation controlled by electric and magnetic fields[J]. Physical Review A, 2014, 89(5):052712(7).
[17] KOCH C P, PALAO, et al. Stabilization of ultracold molecules using optimal control theory[J]. Physical Review A, 2004, 70(1):013402(14).
[18] TRAN P. Population transfer through the continuum:Ir excitation of HeH⁺[J]. Physical Review A, 1999, 59(2):1444-1450.
[19] NIU Y Y, WANG R et al. The photoassociation and photodissociation in laser-assisted collision reaction H+Cl⁺[J]. International Journal of Quantum Chemistry, 2008, 108(2):289-295.
[20] FEIT M D, FLECK J A, et al. Solution of the Schrödinger equation by a spectral method[J]. Journal of Computational Physics, 1982, 47(3):412-433.
[21] FEIT M D, FLECK J A. Wave packet dynamics and chaos in the Hénon-Heiles system[J]. The Journal of Chemical Physics, 1984, 80(6):2578-2584.
[22] KOSLOFF D, KOSLOFF R. A fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics[J]. Journal of Computational Physics, 1983, 52(1):35-53.
[23] MARSTON C C, BALINTKURTI G G. The Fourier grid Hamiltonian method for bound state eigenvalues and eigenfunctions[J]. The Journal of Chemical Physics, 1989, 91(6):3571-3576.
[24] JOLICARD G, ATABEK O. Above-threshold-dissociation dynamics of H₂⁺ with short intense laser pulses[J]. Physical Review A, 1992, 46(9):5845-5855.
[25] WANG B B, HAN Y C, et al. Isotope effects on the formation of the lowest rovibrational level of NaH molecule via pump-dump photoassociation[J]. Theoretical Chemistry Accounts, 2015, 134:80(10).

HeH⁺体系光缔合反应的动力学研究

Wavepacket Dynamics Study of Photoassociation Reaction of HeH⁺ System

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Wavepacket Dynamics Study of Photoassociation Reaction of HeH+ System

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HeH⁺体系光缔合反应的动力学研究

Wavepacket Dynamics Study of Photoassociation Reaction of HeH⁺ System