Solving Time-dependent Schrodinger Equation Using Gaussian Wave Packet Dynamics
- Authors
- Lee, Min-Ho; Byun, Chang Woo; Choi, Nark Nyul; Kim, Dae-Soung
- Issue Date
- Nov-2018
- Publisher
- KOREAN PHYSICAL SOC
- Keywords
- Gaussian Gabor frame; Gaussian wave packet; Tunneling; HHG; ATI
- Citation
- JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.73, no.9, pp.1269 - 1278
- Journal Title
- JOURNAL OF THE KOREAN PHYSICAL SOCIETY
- Volume
- 73
- Number
- 9
- Start Page
- 1269
- End Page
- 1278
- URI
- https://scholarworks.bwise.kr/kumoh/handle/2020.sw.kumoh/296
- DOI
- 10.3938/jkps.73.1269
- ISSN
- 0374-4884
- Abstract
- Using the thawed Gaussian wave packets [E. J. Heller, J. Chem. Phys. 62, 1544 (1975)] and the adaptive reinitialization technique employing the frame operator [L. M. Andersson et al., J. Phys. A: Math. Gen. 35, 7787 (2002)], a trajectory-based Gaussian wave packet method is introduced that can be applied to scattering and time-dependent problems. This method does not require either the numerical multidimensional integrals for potential operators or the inversion of nearly-singular matrices representing the overlap of overcomplete Gaussian basis functions. We demonstrate a possibility that the method can be a promising candidate for the time-dependent Schrodinger equation solver by applying to tunneling, high-order harmonic generation, and above-threshold ionization problems in one-dimensional model systems. Although the efficiency of the method is confirmed in one-dimensional systems, it can be easily extended to higher dimensional systems.
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