Assessment of Multireference Approaches to Explicitly Correlated Full Configuration Interaction Quantum Monte Carlo

Article, Preprint English OPEN
Kersten, Jennifer; Booth, George H.; Alavi, Ali;
(2016)

The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger equation within a finite orbital basis set, without relying on an expansion about a reference state. However, a drawback ... View more
Share - Bookmark