2.6M - 1. Institut für Theoretische Physik - Universität Stuttgart

5. Ergebnisse
Tab. 5.4.: Grundzustandsenergie in keV der Elemente mit Kernladungszahlen Z = 2 . . . 26 (B = 5 · 10 8 T). Die Zahl in
eckigen Klammern gibt an, wieviele Elektronen sich in den Orbitalen mit der Quantenzahl ν = 1 statt ν = 0
befinden. Simulationsparameter: 500 Walker, ∆τ(Z = 2 . . . 22) = 10 −5 a.u., ∆τ(Z = 23 . . . 26) = 5 · 10 −6 a.u. 70
Z RPDQMC FPDQMC VQMC HFFEM 2DHF MCPH3 DF Abb.
2 -0.9664 -0.9672 -0.9620 0.9589 -0.96191 -0.9574 -1.04 5.48
3 -2.103 -2.101 -2.088 -2.080 -2.08931 -2.078 5.49
4 -3.630 -3.626 -3.607 -3.591 -3.61033 -3.586 5.50
5 -5.525 -5.524 -5.491 -5.465 -5.49950 -5.476 5.51
6 -7.766 -7.764 -7.727 -7.679 -7.73528 -7.695 -8.03 5.52
7 -10.343 -10.336 -10.279 -10.214 -10.29919 -10.231 5.53
8 -13.224 -13.221 -13.144 -13.055 -13.17543 -13.099 5.54
9 -16.412 -16.407 -16.314 -16.185 -16.34997 -16.264 5.55
10 -19.881 -19.873 -19.738 -19.594 -19.81072 -19.702 -20.24 5.56
11 -23.635 -23.614 -23.489 -23.268 -23.406 5.57
12 -27.655 -27.629 -27.446 -27.199 -27.436 5.58
13 -31.931 -31.888 -31.696 -31.376 -31.675 5.59
14 -36.442 -36.421 -36.192 -35.793 -36.154 -36.76 5.60
15 -41.203 -41.179 -40.898 -40.438 -40.915 5.61
16 -46.214 -46.173 -45.852 -45.308 -45.881 5.62
17 -51.445 -51.407 -51.030 -50.395 -51.067 5.63
18 -56.894 -56.856 -56.425 -55.693 -56.530 5.64
19 -62.584 -62.532 -62.044 -61.196 -62.181 5.65
20 -68.447 -68.414 -67.934 -66.901 -68.031 -68.37 5.66
21 -74.669 -74.605 -73.989 -72.899 [1] -74.184 [1] 5.67
22 -81.071 -81.039 -80.358 -79.112 [1] -80.602 [1] 5.68
23 -87.633 -87.652 -86.876 -85.530 [1] -87.263 [1] 5.69
24 -94.561 -94.494 -93.667 -92.148 [1] -94.259 [1] 5.70
25 -101.615 -101.549 -100.590 -98.964 [1] -101.25 [1] 5.71
26 -109.079 -108.966 -107.913 -106.134 [2] -108.64 [2] -108.18 5.72