Near-degeneracy corrections for second-order perturbation theory: comparison of two approaches

Citation
A. Szabados et al., Near-degeneracy corrections for second-order perturbation theory: comparison of two approaches, THEOR CH AC, 105(6), 2001, pp. 408-412
Citations number
22
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEORETICAL CHEMISTRY ACCOUNTS
ISSN journal
1432881X → ACNP
Volume
105
Issue
6
Year of publication
2001
Pages
408 - 412
Database
ISI
SICI code
1432-881X(200105)105:6<408:NCFSPT>2.0.ZU;2-I
Abstract
We compare two approximate perturbation schemes which were developed recent ly to deal with the (quasi)degeneracy problem in many-body perturbation the ory. We conclude that although the two methods were introduced on quite dif ferent theoretical grounds, their performances are quite similar, and prese nt an improvement over traditional perturbation theory. Both methods are ch eap in computation time, but cannot compete in accuracy with more sophistic ated schemes such as complete-active-space perturbation theory or dressed p article theories.