Statements (25)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational chemistry software
|
| gptkbp:application |
quantum chemistry
molecular electronic structure calculations |
| gptkbp:developer |
gptkb:Lund_University
|
| gptkbp:feature |
gptkb:RASSCF
relativistic effects spin-orbit coupling geometry optimization CASSCF vibrational analysis excited states CASPT2 RASSI multiconfigurational methods |
| gptkbp:firstReleased |
1990s
|
| https://www.w3.org/2000/01/rdf-schema#label |
Molcas
|
| gptkbp:license |
proprietary
|
| gptkbp:operatingSystem |
gptkb:Windows
gptkb:macOS gptkb:Linux |
| gptkbp:programmingLanguage |
gptkb:Fortran
|
| gptkbp:successor |
gptkb:OpenMolcas
|
| gptkbp:website |
https://www.molcas.org/
|
| gptkbp:bfsParent |
gptkb:CASPT
|
| gptkbp:bfsLayer |
8
|