TY - JOUR
T1 - Multichannel quantum wave packet propagation in the interaction picture
T2 - application to gas-surface scattering
AU - Zhang, John Z.H.
N1 - Funding Information:
The author wishes to thank Prof. W.H. Miller for support. Financial support from the National Science Foundation, grant No. CHE84-16345 is gratefully acknowledged.
PY - 1991/2
Y1 - 1991/2
N2 - Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.
AB - Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.
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U2 - 10.1016/0010-4655(91)90235-D
DO - 10.1016/0010-4655(91)90235-D
M3 - Article
AN - SCOPUS:0026106046
VL - 63
SP - 28
EP - 37
JO - Computer Physics Communications
JF - Computer Physics Communications
SN - 0010-4655
IS - 1-3
ER -