TOPIC: Development and Application of Quantum Chemical Methods
Parallel Implementation of Hilbert-space Multireference Coupled Cluster Methods and Application on Excited States
LH13117 (KONTAKT), Ministry of Education, Youth and Sports of the Czech Republic
The aim of this project is to perform large-scale calculations on excited states of chemical and biological important molecules by the State-Universal coupled cluster (SU-MRCC) method and state-specific MRCC methods with Universal State-Selective (USS) correction.
doc. Mgr. PITTNER JiĹ™Ă, Dr. rer. nat., DSc.
Department: Department of Theoretical Chemistry
Phone: (+420) 26605 2015
Fax: (+420) 266053910