Dynamics of the Bulk Hydrated Electron from Many‐Body Wave‐Function Theory

DOI

Trajectories and spin densities for the bulk hydrated electron at the MP2 level of theory. The data represent the first ab initio molecular dynamics study of the hydrated electron in the bulk using many-body wave function theory.

Identifier
DOI https://doi.org/10.24435/materialscloud:2019.0022/v1
Related Identifier https://doi.org/10.1002/anie.201814053
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:x8-6v
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:135
Provenance
Creator Rybkin, Vladimir
Publisher Materials Cloud
Contributor Rybkin, Vladimir
Publication Year 2019
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format application/gzip; text/plain; text/markdown
Discipline Materials Science and Engineering