Campus Units
Chemistry
Document Type
Article
Publication Version
Published Version
Publication Date
11-2000
Journal or Book Title
Journal of Chemical Physics
Volume
113
Issue
20
First Page
9355
Last Page
9356
DOI
10.1063/1.1320059
Abstract
Given the agreement among TCSCF, MP2, and MRMP methods, it is concluded that the structure of Si9H12 is symmetric, that dynamic correlation does not play a major role in determining the structure, and that DFT incorrectly predicts Si9H12 to be buckled.
Rights
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
Language
en
File Format
application/pdf
Recommended Citation
Gordon, Mark S.; Shoemaker, James R.; and Burggraf, Larry W., "Response to “Comment on ‘An Ab Initio Cluster Study of the Structure of the Si(001) Surface’ ” [J. Chem. Phys. 113, 9353 (2000)]" (2000). Chemistry Publications. 395.
https://lib.dr.iastate.edu/chem_pubs/395
Comments
This article is from Journal of Chemical Physics 113 (2000): 9355, doi:10.1063/1.1320059.