Luca Frediani: MRCPP and MRChem: can we make multiwavelets a useful tool for the CTCC?
CTCC seminar. Luca Frediani will give todays talk.
This is a joint seminar between Oslo and Tromsø in room V205 (Oslo) and ROOM #1.441 (LEVEL 4) Teorifagbygget, House 1 (Tromsø).
The seminars will alternate beetween our two Universities and will be broadcasted by video to the other place.
MRCPP is a multiwavelet library developed to use multiwavelets to solve the Hartree-Fock and Kohn-Sham equations. MRChem is the "chemistry" overlay which is responsible for the SCF and response equations. At present, MRChem can run energy and linear response calculations at finite, arbitrary precision (with some limitations which will be discussed in the talk). In this contribution we will present the current state of the art of MRCPP and MRChem. Emphasis will be posed on possibilities for collaborations within the CTCC, both in terms of code development and applications.