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Edit the explanation of the Subotnik width
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DaehoHan committed Mar 14, 2024
1 parent f15c27a commit 35cc79c
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2 changes: 1 addition & 1 deletion src/libra_py/dynamics/tsh/compute.py
Original file line number Diff line number Diff line change
Expand Up @@ -353,7 +353,7 @@ def run_dynamics(dyn_var, _dyn_params, ham, compute_model, _model_params, rnd):
- 0: no td width; use the fixed-width Gaussian approximation
- 1: the td Gaussian width from a free particle Gaussian wave packet, \sigma(t)=\sqrt[\sigma(0)^2 + (wp_v * t)^2]
- 2: the Schwarz scheme where the width depends on the instantaneous de Broglie wavelength, \sigma(t)^(-2) = [\sigma(0)^2 * P/ (4 * PI) ]^2
- 3: the Subotnik schene where the width is given pairwise depending on the auxiliary variables, \sigma_ij(t)^2 = |R_i - R_j| / |P_i - P_j|
- 3: the Subotnik scheme where the width is given as a sum of pairwise widths depending on the auxiliary variables, \sigma_ij(t)^2 = |R_i - R_j| / |P_i - P_j|
///===============================================================================
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