TY - JOUR
T1 - Interaction representation in time-dependent quantum scattering
T2 - Elimination of finite boundary reflection
AU - Zhang, John Z.H.
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.
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U2 - 10.1016/0009-2614(89)87620-1
DO - 10.1016/0009-2614(89)87620-1
M3 - Article
AN - SCOPUS:0000331579
SN - 0009-2614
VL - 160
SP - 417
EP - 422
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4
ER -