title: Communication: A new approach to dual-basis second-order Møller-Plesset calculations.
abstract: We describe a hierarchy of approximations (MP2[x]) that allow one to estimate second-order Møller-Plesset (MP2) energies in a large basis set from small-basis calculations. The most cost-effective approximation, MP2[K], is significantly cheaper than full MP2 but numerical tests on small atoms and molecules indicate that it is nonetheless accurate. We conclude that MP2[K] is an attractive level of theory for large systems.
authors.affiliation: Research School of Chemistry, Australian National University, Canberra, ACT, Australia.
authors.forename: Jia
authors.initials: J
authors.lastname: Deng
authors.forename: Peter M W
authors.initials: PM
authors.lastname: Gill