Input 03-He-Hartree-Fock.01-gs.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Total energy |
-2.947939590000000e+00 |
-2.947939590000000e+00 |
1.470000000000000e-07 |
0.000000000000000e+00 |
PASS |
Exchange energy |
-7.237351800000000e-01 |
-7.237347200000001e-01 |
4.000000000000000e-05 |
-4.599999999799209e-07 |
PASS |
Eigenvalue 1 |
-7.502350000000000e-01 |
-7.502350000000000e-01 |
3.000000000000000e-05 |
0.000000000000000e+00 |
PASS |
Eigenvalue 5 |
5.827590000000000e-01 |
5.827590000000000e-01 |
2.910000000000000e-05 |
0.000000000000000e+00 |
PASS |