srDFT_SC/new/H2_avtz/data/data_fci_avtz

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2019-10-21 17:04:57 +02:00
0.8 -1.01572072342232
0.9 -1.08017011921229
1 -1.12167539872052
1.1 -1.14761244402079
1.2 -1.16277297898841
1.401 -1.17263388078596
1.6 -1.16692025990694
1.8 -1.15355385610108
2 -1.1367403452352
2.5 -1.09275627513954
3 -1.05634660301335
4 -1.01576691073486
5 -1.00332750482595
7 -0.999827161999526
10 -0.99965045434706