add H2 triplet state energy with SF-CIS
This commit is contained in:
parent
076478f338
commit
1f4c33cefd
51
output/h2_qchem_energy_triplet_cis.txt
Normal file
51
output/h2_qchem_energy_triplet_cis.txt
Normal file
@ -0,0 +1,51 @@
|
||||
-0.56823437
|
||||
-0.67759269
|
||||
-0.75068723
|
||||
-0.80367313
|
||||
-0.84424161
|
||||
-0.87624654
|
||||
-0.90181909
|
||||
-0.92231778
|
||||
-0.93873152
|
||||
-0.95183810
|
||||
-0.96226704
|
||||
-0.97053208
|
||||
-0.97705410
|
||||
-0.98217865
|
||||
-0.98618865
|
||||
-0.98931406
|
||||
-0.99174044
|
||||
-0.99361673
|
||||
-0.99506205
|
||||
-0.99617130
|
||||
-0.99701963
|
||||
-0.99766622
|
||||
-0.99815734
|
||||
-0.99852903
|
||||
-0.99880926
|
||||
-0.99901968
|
||||
-0.99917704
|
||||
-0.99929424
|
||||
-0.99938122
|
||||
-0.99944556
|
||||
-0.99949301
|
||||
-0.99952793
|
||||
-0.99955354
|
||||
-0.99957229
|
||||
-0.99958596
|
||||
-0.99959590
|
||||
-0.99960308
|
||||
-0.99960825
|
||||
-0.99961195
|
||||
-0.99961458
|
||||
-0.99961643
|
||||
-0.99961773
|
||||
-0.99961862
|
||||
-0.99961922
|
||||
-0.99961961
|
||||
-0.99961986
|
||||
-0.99962000
|
||||
-0.99962007
|
||||
-0.99962010
|
||||
-0.99962010
|
||||
-0.99962007
|
Loading…
Reference in New Issue
Block a user