Speaker: Alexandre Bazanté
Title: Real Time Coupled Cluster: a new take on reduced scaling for response properties
Abstract: A major challenge of local-correlation methodology for predicting molecular response properties lies in the differing requirements of the virtual space to obtain compact representations of unperturbed and perturbed wave functions. This loss of sparsity all but disappears in a non-perturbative treatment; real time propagation of the ground state CCSD cluster amplitudes has essentially no effect on the distribution of the amplitudes as compared to the original ground state wave function parameters. Thus, the same sparsity underlying the success of the reduced-scaling methods for energetics can potentially be exploited to recast the response property calculation via an explicitly time-dependent formalism.
Dr. Alexandre Bazanté, a post doc with the Crawford Research Group at Virginia Tech, is visiting Oslo for four week to work with Thomas Bondo Pedersen and Simen Kvaal.
The Hylleraas seminars alternate between Oslo (room V211) and Tromsø (room C302), and are broadcasted by video conference to the other place. It is possible to follow the seminars externally upon request.