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A high-accurate transparent boundary conditions for the time-dependent quantum wave packet method
Zhigang Sun
大连市中山路457号38号楼210房间
Abstract:
Complex absorbing potential usually is required in a time-dependent wave packet method to accomplish the calculation in a truncated region. Usually it works e ectively but becomes ine- cient when the wave function involving translational energy of broad range, particularly involving ultra-low energy. In this work, a new transparent boundary condition (TBC) is proposed for the time-dependent wave packet method. It in principle is of spectral accuracy when typical discrete variable representations are applied. The prominent merit of the new TBC is that its accuracy is insensitive to the translational energy distribution of the wave function, in contrast with the complex absorbing potential. Application of the new TCB are given to one-dimensional particle wave packet scatterings from a barrier with a potential well, which supports resonances states. a To whom corresponding should be addressed: Email: zsun@dicp.ac.cn PACS numbers: 1
Key words:  quantum wave packet, absorbing potential, transparent boundary conditions
FundProject:
A high-accurate transparent boundary conditions for the time-dependent quantum wave packet method
Z. Sun
大连市中山路457号38号楼210房间
摘要:
Complex absorbing potential usually is required in a time-dependent wave packet method to accomplish the calculation in a truncated region. Usually it works e ectively but becomes ine- cient when the wave function involving translational energy of broad range, particularly involving ultra-low energy. In this work, a new transparent boundary condition (TBC) is proposed for the time-dependent wave packet method. It in principle is of spectral accuracy when typical discrete variable representations are applied. The prominent merit of the new TBC is that its accuracy is insensitive to the translational energy distribution of the wave function, in contrast with the complex absorbing potential. Application of the new TCB are given to one-dimensional particle wave packet scatterings from a barrier with a potential well, which supports resonances states. a To whom corresponding should be addressed: Email: zsun@dicp.ac.cn PACS numbers: 1
关键词:  quantum wave packet, absorbing potential, transparent boundary conditions
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