High-accurate transparent boundary conditions for time-dependent quantum wave packet method
Complex absorbing potential is usually required in a time-dependent wave packet method to accomplish the calculation in a truncated region. Usually it works effectively but becomes inefficient when the wave function involves translational energy of broad range, particularly involving ultra-low energ...
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Veröffentlicht in: | Chinese journal of chemical physics 2020-04, Vol.33 (2), p.258-262 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | Complex absorbing potential is usually required in a time-dependent wave packet method to
accomplish the calculation in a truncated region. Usually it works effectively but becomes
inefficient when the wave function involves 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 TBC is given to one-dimensional particle wave packet
scatterings from a barrier with a potential well, which supports resonances states. |
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ISSN: | 1674-0068 2327-2244 |
DOI: | 10.1063/1674-0068/cjcp1909167 |