基于劈裂算符方法的势垒隧穿含时演化的数值模拟NUMERICAL SIMULATION OF TIME-DEPENDENT EVOLUTION OF QUANTUM TUNNELING BASED ON SPLITTING OPERATOR METHOD
李海凤,黄思哲,刘喆,潘雷雷
摘要(Abstract):
本文基于劈裂算符方法,数值研究了描述微观粒子的高斯型波包在一维、二维势垒中的动态演化过程,计算了体系的坐标、动量、哈密顿算符的期望值,并验证了在整个势垒隧穿动力学过程中满足海森堡不确定性关系。通过将时间演化算符拆分为动能与势能的交替作用,利用快速傅里叶变换对波函数进行坐标与动量表象间的转换,实现了含时薛定谔方程的数值求解。结果表明,若势能函数不显含时间,体系的平均能量含时演化在大尺度范围保持守恒,在小尺度范围“不严格守恒”,当微观粒子隧穿势垒时能量将快速涨落,离开势垒后恢复至隧穿前的能量。在一维双势阱中,高斯波包在势阱内往复运动,频繁贯穿势垒,能量平均值随时间小幅度周期性快速振荡。对于二维势垒情况,二维高斯波包的反射方向可与入射方向不同,一段时间后粒子主要出现在势垒两侧。本文为量子力学教学的可视化研究,以及量子隧穿动力学的深入探索奠定了数值基础,加深对微观粒子波-粒二象性以及海森堡测不准原理的理解。
关键词(KeyWords): 劈裂算符法;含时薛定谔方程;高斯波包;量子隧穿
基金项目(Foundation): 西安工业大学研究生教育教学改革研究项目(XAGDYJ250237;XAGDYJ250241);西安工业大学本科教学改革研究项目(25JCY42);; 2025年大创项目(创新训练,S202510702162)
作者(Author): 李海凤,黄思哲,刘喆,潘雷雷
DOI: 10.27024/j.wlygc.2025.06.02.02
参考文献(References):
- [1] 周世勋.量子力学教程[M].2版.北京:高等教育出版社,2009.ZHOU S X.A tutorial in quantum mechanics[M].2nd ed.Beijing:Higher Education Press,2009.(in Chinese)
- [2] 赵凯华,罗蔚茵.量子物理[M].2版.北京:高等教育出版社,2008.ZHAO K H,LUO H Y.Quantum physics[M].2nd ed.Beijing:Higher Education Press,2008.(in Chinese)
- [3] RAY S D,BHATTACHARYYA S,BHATTACHARJEE J K.Dynamical system description of quantum tunneling in a double well potential[J].Physics Letters A,2025,532:130174-1-7.
- [4] BAYFIELD J E.Quantum evolution:an introduction to time dependent quantum mechanics[M].New Jersey:John Wiley & Sons Inc.,1999:145-151.
- [5] 黄整,陈晓敏,朱正和.时域有限差分法对双原子分子振动光谱计算的应用[J].原子与分子物理学报,2000,(4):576-582.HUANG Z,CHENG X M,ZHU Z H.The application of finite-difference-time-domain method in the calculation for the molecular vibration of diatomics[J].Chinese Journal of Atomic and Molecular Physics,2000,(4):576-582.(in Chinese)
- [6] 安妮.戈林鲍姆,蒂莫西.夏蒂埃.数值方法:设计、分析和算法实现[M].吴兆金,王国英,范红军,译.北京:机械工业出版社,2016.ANNE G,TIMOTHY S.Numerical method:design,analysis,and computer implementation of algorthms[M].WU Z J,WANG G Y,FAN H J,Trans.Beijing:Machinery Industry Press,2016.(in Chinese)
- [7] GRIFFITHS D J,SCHROETER D F.Introduction to quantum mechanics[M].3rd ed.Cambridge University Press,2018:449-456.
- [8] RENGEL R,PASCUAL E,MARTIN M J.Injected current and quantum transmission coefficient in low schottky barriers:WKB and Airy approaches[J].IEEE Electron Device Letters,2007,28:171-173.
- [9] COX J D,SINGH M R.Resonant tunneling in photonic double quantum well heterostructures[J].Nanoscale Research Letters,2010,5(3),484-488.(in Chinese)
- [10] 张灿,周卫康,陈天.波传播算法在量子力学中的应用及其数值模拟[J].物理与工程,2022,32(5):150-156.ZHANG C,ZHOU W K,CHEN T.Application of beam propagation method in quantum mechanics and its numerical simulation[J].Physics and Engineering,2022,32(5):150-156.(in Chinese)
- [11] 杜炳毅,徐岩.势垒隧穿含时演化的Julia数值模拟[J].物理与工程,2022,32(3):21-25.DU B Y,XU Y.Numerical calculation of quantum tunneling based on Julia[J].Physics and Engineering,2022,32(3):21-25.(in Chinese)
- [12] TANNOR D J.Introduction to quantum mechanics:a time-dependent perspective[M].California:University Science Books,2007.
- [13] MCKAGAN S B,PERKINS K K,WIEMAN C E.Deeper look at student learning of quantum mechanics:The case of tunneling[J].Physical Review Special Topics-Physics Education Reserach 2008,4,020103-1-18.
- [14] PRIETO A L P,BROUARD S,MUGA J G.Explicit solution for a Gaussian wave packet impinging on a square barrier[J].Journal of Physics A:Mathematical and General,2003,(36):2371-2378.