National Repository of Grey Literature 1 records found  Search took 0.00 seconds. 
Multireference CC calculations using optimized virtual orbitals
Lang, Jakub ; Pittner, Jiří (advisor) ; Uhlík, Filip (referee)
i Abstract The aim of this work is to test the performance of multireference methods using the truncated virtual orbital space as a result when OVOS method is employed. As a guess function, the OVOS wave function is used for the calculations of the two-determinantal state of a quasi-degenerate system. The resulting energies are investigated for different truncation of the virtual orbital space.

Interested in being notified about new results for this query?
Subscribe to the RSS feed.