Communications

Intramolecular basis set superposition error as a measure of basis set incompleteness: Can one reach the basis set limit without extrapolation?
Thumbnail
Metadata only
Author
Balabin, Roman M.
Date
2010
Type
    Journal Article
Publication status
published
External links
Journal / series
Journal of Chemical Physics. BioChemical Physics
Volume
132(21)
Pages / Article No.
211103
Publisher
American Institute of Physics
Subject
ab initio calculations; ammonia; carbon compounds; error analysis; nitrogen; organic compounds; perturbation theory; Schrodinger equation; water
Notes
Received 20 December 2009, Accepted 19 April 2010, Published online 7 June 2010.
More
Show all metadata
ETH Bibliography
yes
Altmetrics