
Numerical validation and GPU performance in atomic physics 381
0.0001
0.00015
0.0002
0.00025
0.0003
0.00035
0.0004
0.00045
0.0005
0.00055
0.0006
1 1.2 1.4 1.6 1.8 2 2.2 2.4 2.6
cross-section in π a
0
2
scattering energy in Ryd
DP cross-section values
SP cross-section values
(a) threshold = 10
−4
0.0001
0.00015
0.0002
0.00025
0.0003
0.00035
0.0004
0.00045
0.0005
0.00055
1 1.2 1.4 1.6 1.8 2 2.2 2.4 2.6
cross-section in π a
0
2
scattering energy in Ryd
DP cross-section values
SP cross-section values
(b) threshold = 10
−3
FIGURE 16.5. 1s4d cross-section, 10 sectors.
above the ionization threshold. Therefore, the deployment of PROP on GPU,
describ