### Abstract

In a recently proposed method, the time-dependent Schrödinger equation is integrated in the interaction representation rather than in the usual Schrödinger representation. This approach is superior to the conventional one for carrying out quantum scattering calculations due to a large reduction in the number of grid points and the use of large time increments for the numerical integration. This paper presents a method that combines the use of FFT and quadrature schemes to eliminate the finite boundary reflection resulting from the discrete Fourier transform. As a result, the method is free of finite boundary reflection and therefore achieves a further reduction in the number of grid points.

Original language | English (US) |
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Pages (from-to) | 417-422 |

Number of pages | 6 |

Journal | Chemical Physics Letters |

Volume | 160 |

Issue number | 4 |

DOIs | |

State | Published - Aug 18 1989 |

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### ASJC Scopus subject areas

- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces

### Cite this

**Interaction representation in time-dependent quantum scattering : Elimination of finite boundary reflection.** / Zhang, John.

Research output: Contribution to journal › Article

}

TY - JOUR

T1 - Interaction representation in time-dependent quantum scattering

T2 - Elimination of finite boundary reflection

AU - Zhang, John

PY - 1989/8/18

Y1 - 1989/8/18

N2 - In a recently proposed method, the time-dependent Schrödinger equation is integrated in the interaction representation rather than in the usual Schrödinger representation. This approach is superior to the conventional one for carrying out quantum scattering calculations due to a large reduction in the number of grid points and the use of large time increments for the numerical integration. This paper presents a method that combines the use of FFT and quadrature schemes to eliminate the finite boundary reflection resulting from the discrete Fourier transform. As a result, the method is free of finite boundary reflection and therefore achieves a further reduction in the number of grid points.

AB - In a recently proposed method, the time-dependent Schrödinger equation is integrated in the interaction representation rather than in the usual Schrödinger representation. This approach is superior to the conventional one for carrying out quantum scattering calculations due to a large reduction in the number of grid points and the use of large time increments for the numerical integration. This paper presents a method that combines the use of FFT and quadrature schemes to eliminate the finite boundary reflection resulting from the discrete Fourier transform. As a result, the method is free of finite boundary reflection and therefore achieves a further reduction in the number of grid points.

UR - http://www.scopus.com/inward/record.url?scp=0000331579&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000331579&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(89)87620-1

DO - 10.1016/0009-2614(89)87620-1

M3 - Article

VL - 160

SP - 417

EP - 422

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 4

ER -