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.
doc. Mgr. PITTNER Jiří Dr. rer. nat., DSc.
Room
102
Department
Extension
2015
E-mail
jiri.pittnerjh-inst.cas.cz