On Fermionic Shadow Wave Functions for strongly-correlated multi-reference systems based on a single Slater determinant

Abstract

We demonstrate that extending the Shadow Wave Function to fermionic systems facilitates to accurately calculate strongly-correlated multi-reference systems such as the stretched H2 molecule. This development considerably extends the scope of electronic structure calculations and enables to efficiently recover the static correlation energy using just a single Slater determinant.

Comments: 6 pages, 2 figures