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

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