Replication Data for: Grassmann Extrapolation for Accelerating Geometry Optimization

• Chemistry
• DFT
• Density Functional ...
• Descriptor
• Energy Minimization
• Geometry Optimization
• Grassmann Extrapola...
• Least Squares Method
• Mathematical Sciences
• Mathematics
• Physics
• Theoretical Chemistry

Identifier
DOI	https://doi.org/10.18419/darus-4470
Metadata Access	https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-4470

Provenance
Creator	Askarpour, Zahra ; Nottoli, Michele ; Stamm, Benjamin (ORCID: 0000-0003-3375-483X)
Publisher	DaRUS
Contributor	Askarpour, Zahra; Stamm, Benjamin
Publication Year	2024
Funding Reference	DFG EXC 2075 - 390740016
Rights	LGPL 3.0 or later; info:eu-repo/semantics/openAccess; https://www.gnu.org/licenses/lgpl-3.0-standalone.html
OpenAccess	true
Contact	Askarpour, Zahra (Universität Stuttgart); Stamm, Benjamin (Universität Stuttgart)

Representation
Resource Type	Dataset
Format	application/gzip; text/markdown; text/plain
Size	98763967; 164142; 140696016; 12898575; 4572; 312
Version	1.0
Discipline	Chemistry; Mathematics; Natural Sciences; Physics