TY - JOUR
T1 - Electronic wave propagation with Mathematica
AU - Falloon, Peter
AU - Wang, Jingbo
PY - 2001
Y1 - 2001
N2 - A highly accurate and effective scheme for solving the time-dependent Schrodinger equation is implemented using Mathematica. The present code achieves a precision of one part in 10(17), which is found to be independent of time steps. With a new wavefunction splitting algorithm and a more efficient method for evaluating transmission coefficients, the improved code requires considerably less CPU time than that reported in our previous publication (Wang and Scholz, Phys. Rev. A 57 (1998) 3554). (C) 2001 Elsevier Science B.V. All rights reserved.
AB - A highly accurate and effective scheme for solving the time-dependent Schrodinger equation is implemented using Mathematica. The present code achieves a precision of one part in 10(17), which is found to be independent of time steps. With a new wavefunction splitting algorithm and a more efficient method for evaluating transmission coefficients, the improved code requires considerably less CPU time than that reported in our previous publication (Wang and Scholz, Phys. Rev. A 57 (1998) 3554). (C) 2001 Elsevier Science B.V. All rights reserved.
U2 - 10.1016/S0010-4655(00)00196-X
DO - 10.1016/S0010-4655(00)00196-X
M3 - Article
VL - 134
SP - 167
EP - 182
JO - Computer Physics Communications
JF - Computer Physics Communications
SN - 0010-4655
ER -