Načítá se...
Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo
[Image: see text] We investigate the performance of a class of compact and systematically improvable Jastrow–Slater wave functions for the efficient and accurate computation of structural properties, where the determinantal component is expanded with a perturbatively selected configuration interacti...
Uloženo v:
| Vydáno v: | J Chem Theory Comput |
|---|---|
| Hlavní autoři: | , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American
Chemical Society
2018
|
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6096455/ https://ncbi.nlm.nih.gov/pubmed/29953810 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00393 |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!
|