CHEMPS2¶
Input File |
Description |
---|---|
dmrg-scf on N2 |
|
dmrg-ci on water |
|
dmrg-caspt2 on nitrogen |
|
dmrg-scf on N2 |
|
dmrg-caspt2 on nitrogen |
Input File |
Description |
---|---|
dmrg-scf on N2 |
|
dmrg-ci on water |
|
dmrg-caspt2 on nitrogen |
|
dmrg-scf on N2 |
|
dmrg-caspt2 on nitrogen |