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Grants

TOPIC: Development and Application of Quantum Chemical Methods

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

2013-2015

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 Jiří, Dr. rer. nat., DSc.

    Department: Department of Theoretical Chemistry
    Phone: (+420) 26605 2015
    Fax: (+420) 286582307
    E-mail: jiri.pittneratjh-inst.cas.cz
    WWW: http://www.jh-inst.cas.cz/~pittner
    Room: 102


http://www.rvvi.cz/cep?ss=detail&n=0&h=LH13117


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