| Literature DB >> 30037266 |
Abstract
Predicting the electronic structure and properties of molecular systems that display strong electron correlation effects continues to remain a fundamental theoretical challenge. This perspective discusses the recent progress and current challenges in multireference wave function methods for dynamical electron correlation, focusing on systematically improvable methods that go beyond the limitations of configuration interaction and perturbation theory.Year: 2018 PMID: 30037266 DOI: 10.1063/1.5039496
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488