title: Comparison of low-order multireference many-body perturbation theories.
abstract: Tests have been made to benchmark and assess the relative accuracies of low-order multireference perturbation theories as compared to coupled cluster (CC) and full configuration interaction (FCI) methods. Test calculations include the ground and some excited states of the Be, H(2), BeH(2), CH(2), and SiH(2) systems. Comparisons with FCI and CC calculations show that in most cases the effective valence shell Hamiltonian (H(v)) method is more accurate than other low-order multireference perturbation theories, although none of the perturbative methods is as accurate as the CC approximations. We also briefly discuss some of the basic differences among the multireference perturbation theories considered in this work.
authors.affiliation: Department of Chemistry, The James Franck Institute, University of Chicago, Chicago, IL 60637, USA
authors.forename: Rajat K
authors.initials: RK
authors.lastname: Chaudhuri
authors.forename: Karl F
authors.initials: KF
authors.lastname: Freed
authors.forename: Gabriel
authors.initials: G
authors.lastname: Hose
authors.forename: Piotr
authors.initials: P
authors.lastname: Piecuch
authors.forename: Karol
authors.initials: K
authors.lastname: Kowalski
authors.forename: Marta
authors.initials: M
authors.lastname: Włoch
authors.forename: Sudip
authors.initials: S
authors.lastname: Chattopadhyay
authors.forename: Debashis
authors.initials: D
authors.lastname: Mukherjee
authors.forename: Zoltán
authors.initials: Z
authors.lastname: Rolik
authors.forename: Agnes
authors.initials: A
authors.lastname: Szabados
authors.forename: Gábor
authors.initials: G
authors.lastname: Tóth
authors.forename: Péter R
authors.initials: PR
authors.lastname: Surján