Why doubly excited determinants govern configuration interaction calculations of electron correlations
arXiv:1409.6435
Abstract
Computational evidence shows that, when using natural orbitals to study (dynamical and non-dynamical) electron correlation, determinants with an odd number of excitations play a negligible role. Instead, doubly excited determinants rule the rostrum in this kind of configuration interaction calculations. We explain mathematically why it must be so.
4 pages, 1 figure, reference added