Aims
To discuss truly new ideas in electronic structure theory that lie outside the conventional development of density functional theory and coupled cluster theory.

Once you have B3LYP and CCSD(T) what is left for electronic structure theory? This workshop will investigate a host of ideas and methods that lie beyond the conventional domains of density functional and coupled-cluster theory. In the last decade, significant progress has been made in longstanding problems of electron correlation, such as the refinement of R12 methods for the problem of inter-electronic cusp. At the same time many new ideas, which emerge from the intersection of quantum chemistry with condensed matter physics and quantum information theory, are appearing to tackle other major challenges of electronic structure, such as strong correlation. Some notable examples of these new ideas include tensor networks wave functions and determinant based Monte Carlo. Finally, the growth of quantum chemistry from molecular applications into new application domains, including condensed phase problems of liquids and solids raises new challenges for the traditional understanding of electron correlation in quantum chemistry.


What can we expect from electronic structure theory in the next few decades? What are the new directions? We propose to assemble a diverse group of theoreticians across multiple fields of electronic structure and related fields, from the United States and abroad, to discuss these issues. The relaxed workshop environment of the TSRC will provide an ideal setting for the kinds of cross-fertilizing discussions that we envision.

The meeting is by invitation only, and all delegates will be asked to give a talk.

The workshop cost includes two hot lunches catered on-site.