Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

For many-body methods such as MCSCF and CASSCF, in which the number of one-electron orbitals is optimized and independent of the basis set used, there are no problems with using plane-wave basis sets. However, for methods currently used in quantum computing such as select configuration interaction (...

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Detalles Bibliográficos
Autores principales: Bylaska, Eric J., Song, Duo, Bauman, Nicholas P., Kowalski, Karol, Claudino, Daniel, Humble, Travis S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8012797/
https://www.ncbi.nlm.nih.gov/pubmed/33816434
http://dx.doi.org/10.3389/fchem.2021.603019

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8012797/
https://www.ncbi.nlm.nih.gov/pubmed/33816434
http://dx.doi.org/10.3389/fchem.2021.603019

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