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