seniority/N2_cc-pvdz/pes_orbital_energy_10.dat
2021-04-26 13:45:27 +02:00

40 lines
492 B
Plaintext

0.7 0.62939
0.75 0.63030
0.8 0.63028
0.85 0.62921
0.9 0.62687
0.95 0.62290
1.0 0.61670
1.05 0.60742
1.1 0.59389
1.15 0.57470
1.2 0.54863
1.3 0.47595
1.4 0.38824
1.5 0.30277
1.6 0.22808
1.7 0.16584
1.8 0.11491
1.9 0.07342
2.0 0.03953
2.1 0.01164
2.2 -0.01153
2.3 -0.03102
2.4 -0.04763
2.5 -0.06198
2.6 -0.07452
2.7 -0.08559
2.8 -0.09544
2.9 -0.10425
3.0 -0.11213
3.1 -0.11921
3.2 -0.12556
3.3 -0.13125
3.4 -0.13636
3.5 -0.14096
3.6 -0.14510
3.7 -0.14883
3.8 -0.15221
3.9 -0.15529
4.0 -0.15808