CHEMPS2ΒΆ
| Input File | Description |
|---|---|
| chemps2/caspt2-n2 | dmrg-caspt2 on nitrogen |
| chemps2/natural-orbital | dmrg-scf on N2 |
| chemps2/caspt2-small | dmrg-caspt2 on nitrogen |
| chemps2/scf-n2 | dmrg-scf on N2 |
| chemps2/ci-h2o | dmrg-ci on water |
| Input File | Description |
|---|---|
| chemps2/caspt2-n2 | dmrg-caspt2 on nitrogen |
| chemps2/natural-orbital | dmrg-scf on N2 |
| chemps2/caspt2-small | dmrg-caspt2 on nitrogen |
| chemps2/scf-n2 | dmrg-scf on N2 |
| chemps2/ci-h2o | dmrg-ci on water |