Hylleraas Seminar, Tilmann Bodenstein
Hylleraas Friday seminar, hosted in Oslo
Speaker: Tilmann Bodenstein
Title: Current developments in bivariational multireference coupled cluster theory
Abstract: In this talk, most recent developments in novel state-specific and state-universal multireference coupled-cluster (MRCC) theory derived from Arponen's bivariational principle at the Hylleraas centre are presented. These methods are free of many of the problems associated with the traditional MRCC theories, such as sufficiency conditions, non-extensivity, etc. The presented methods are widely based on singlereference theory, but avoid a bias towards an arbitrary reference by bivariational and optional non-orthogonal active-orbital optimisation. Numerical results for systems with complicated electronic structures are shown and compared to established, accurate MRCC methods.
Due to the present situation with the COVID-19 virus, seminars will be shared between Oslo and Tromsø by using the Zoom virtual meeting system.