Selected Configuration Interaction Using Time-Evolved Population Statistics
in a 6-31G basis set as the Si-H bonds are stretched. We benchmark against the best-in-class Heatbath CI algorithm to assess the compactness of the resulting wave function.
Authors
- Angus Mingare (ORCID: https://orcid.org/0009-0003-1948-8843)
- Peter V. Coveney (ORCID: https://orcid.org/0000-0002-8787-7256)
- Tim Weaving (ORCID: https://orcid.org/0000-0003-3362-7275)
- Alexis Ralli (ORCID: https://orcid.org/0000-0001-8953-1235)
Institutions
- Computational Physics (United States) (US)
- University College London (GB)
- University of Delaware (US)
- University of Amsterdam (NL)
Publication Details
- Journal
- Journal of Chemical Theory and Computation
- Published
- 2026-04-22
- DOI
- https://doi.org/10.1021/acs.jctc.5c01994
- Primary Topic
- Bayesian Methods and Mixture Models
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- European Commission
- Engineering and Physical Sciences Research Council