Embedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: implementation and applications

Bibliographic Details
Authors: Swerts, Ben, Chibotaru, Liviu F., Lindh, Roland, Seijo Loché, Luis Ignacio, Barandiarán Piedra, Zoila, Clima, Sergiu, Pierloot, Kristin, Hendrickx, Marc F.A.
Format: article
Publication Date:2008
Country:España
Institution:Universidad Autónoma de Madrid
Repository:Biblos-e Archivo. Repositorio Institucional de la UAM
Language:English
OAI Identifier:oai:repositorio.uam.es:10486/7368
Online Access:http://hdl.handle.net/10486/7368
https://dx.doi.org/10.1021/ct7003148
Access Level:Open access
Keyword:Química cuántica
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