Embedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: implementation and applications
Publisher
American Chemical SocietyDate
2008Citation
10.1021/ct7003148
Journal of Chemical Theory and Computation 4 (2008): 586-594
ISSN
1549-9618DOI
10.1021/ct7003148Editor's Version
http://dx.doi.org/10.1021/ct7003148Subjects
Química cuánticaRights
Reprinted with permission from (Swerts, B., Chibotaru, L.F., Lindh, R., Seijo, L., Barandiarán, Z., Clima, S., Pierloot, K. and M.F.A. Hendrickx."Embedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: implementation and applications." Journal of Chemical Theory and Computation 4 (2008): 586-594). Copyright 2008 American Chemical SocietyFiles in this item
Google Scholar:Swerts, Ben
-
Chibotaru, Liviu F.
-
Lindh, Roland
-
Seijo Loché, Luis Ignacio
-
Barandiarán Piedra, Zoila
-
Clima, Sergiu
-
Pierloot, Kristin
-
Hendrickx, Marc F.A.
This item appears in the following Collection(s)
Related items
Showing items related by title, author, creator and subject.