Molcas: a program package for computational chemistry.
By G. Karlström, Roland Lindh, P. Malmqvist, B. Roos, Ulf Ryde, V. Veryazov, Per-Olof Widmark, M. Cossi, B. Schimmelpfennig, P. Neogrády and 1 more. 2003
1,377 citations recorded by the source corpus.
Subfields: Atmospheric Science, Atomic and Molecular Physics, and Optics, Catalysis
View Paper: https://www.semanticscholar.org/paper/12f3e2fe24b642bf98dd975bcad08321aee4902b
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In Atomic and Molecular Physics, and Optics
- Alberto Baiardi
- L. Chibotaru
- Markus Reiher
- Roland Lindh
- Francesco Aquilante
- L. Ungur
- Thomas Bondo Pedersen
Citations in the corpus
- Advances, Applications and Performance of the Global Arrays Shared Memory Programming Toolkit (2006, neutral): “1997), MOLPRO (Dobbyn, Knowles, and Harrison 1998), MOLCAS (Karlstrom et al. 2003), QChem (Kong et al.”
- Modern quantum chemistry with [Open]Molcas. (2020, methodology): “scitation.org/journal/jcp function and the RDMs required for CASPT2 calculations [2-, 3-RDMs and the generalized Fock matrix contracted with the 4-RDM ( F .4-RDM)] are calculated using the CheMPS2 library.”