CASSCF linear response calculations for large open-shell molecules.

Helmich-Paris, Benjamin.

Affiliation

Helmich-Paris B; Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.

J Chem Phys ; 150(17): 174121, 2019 May 07.

Article in En | MEDLINE | ID: mdl-31067879

Full text: 1 Database: MEDLINE Language: En Year: 2019 Type: Article

Full text: 1 Database: MEDLINE Language: En Year: 2019 Type: Article