srDFT_SC/new/H2_avdz/data/exact-H2

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2019-10-21 17:04:57 +02:00
# r exact
0.8 -1.0201
0.9 -1.0836
1 -1.1245
1.1 -1.1501
1.2 -1.1649
1.401 -1.1745
1.6 -1.1686
1.8 -1.1551
2 -1.1381
2.5 -1.0939
3 -1.0573
4 -1.0164
5 -1.0038
7 -1.0002
10 -1.0000