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.pittner
jh-inst.cas.cz
![at](https://webarchiv.lib.cas.cz:443/wayback/20200408161039im_/https://www.jh-inst.cas.cz/modules/spamspan/image.gif)