Parallel Implementation of Hilbert-space Multireference Coupled Cluster Methods and Application on Excited States

Grant Agency
Ministry of Education, Youth and Sports of the Czech Republic
Topics
Development and Application of Quantum Chemical Methods
Year from
2013
Year to
2015
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.

prof. Mgr. Pittner Jiří Dr. rer. nat., DSc.

E-mail
jiri.pittneratjh-inst.cas.cz
Room
102
Extension
+420 26605 2015