Quantum chemistry meets dynamical mean-field theory
Ross H. McKenzie (noreply@blogger.com)
I often discuss these two topics, but in separate posts. But, both are concerned with strong electronic correlations; one in molecules and the other in solids. Is it possible to bring them together in a mutually beneficial manner? 1. How could quantum chemistry of finite molecules benefit from DMFT? This is considered in a PRL from Columbia. An earlier post reviewed nice work that used LDA+DMFT to study myoglobin. [See also a recent PNAS ]. Broadly, I think DMFT will be most appropriate and usef
