Benchmark of the Extension of Frozen-Density Embedding Theory to Nonvariational Correlated Methods: The Embedded-MP2 Case
Published inJournal of chemical theory and computation, vol. 17, no. 7, p. 4049-4062
Publication date2021-06-17
First online date2021-06-17
Abstract
Keywords
- Approximation
- Electrical energy
- Embedding
- Energy
- Interaction energies
Affiliation entities
Citation (ISO format)
SEN, Reena et al. Benchmark of the Extension of Frozen-Density Embedding Theory to Nonvariational Correlated Methods: The Embedded-MP2 Case. In: Journal of chemical theory and computation, 2021, vol. 17, n° 7, p. 4049–4062. doi: 10.1021/acs.jctc.1c00228
Main files (1)
Article (Published version)
Identifiers
- PID : unige:180194
- DOI : 10.1021/acs.jctc.1c00228
- PMID : 34137597
Additional URL for this publicationhttps://pubs.acs.org/doi/10.1021/acs.jctc.1c00228
Journal ISSN1549-9618
