Response to “Comment on ‘An Ab Initio Cluster Study of the Structure of the Si(001) Surface’ ” [J. Chem. Phys. 113, 9353 (2000)]
| dc.contributor.author | Gordon, Mark | |
| dc.contributor.author | Shoemaker, James | |
| dc.contributor.author | Burggraf, Larry | |
| dc.contributor.department | Department of Chemistry | |
| dc.date | 2018-02-17T08:04:41.000 | |
| dc.date.accessioned | 2020-06-30T01:19:50Z | |
| dc.date.available | 2020-06-30T01:19:50Z | |
| dc.date.issued | 2000-11-01 | |
| dc.description.abstract | <p>Given the agreement among TCSCF, MP2, and MRMP methods, it is concluded that the structure of Si9H12 is symmetric, that dynamic correlation does <em>not</em> play a major role in determining the structure, and that DFT incorrectly predicts Si9H12 to be buckled.</p> | |
| dc.description.comments | <p>This article is from <em>Journal of Chemical Physics</em> 113 (2000): 9355, doi:<a href="http://dx.doi.org/10.1063/1.1320059" target="_blank">10.1063/1.1320059</a>.</p> | |
| dc.format.mimetype | application/pdf | |
| dc.identifier | archive/lib.dr.iastate.edu/chem_pubs/395/ | |
| dc.identifier.articleid | 1401 | |
| dc.identifier.contextkey | 7927418 | |
| dc.identifier.s3bucket | isulib-bepress-aws-west | |
| dc.identifier.submissionpath | chem_pubs/395 | |
| dc.identifier.uri | https://dr.lib.iastate.edu/handle/20.500.12876/14848 | |
| dc.language.iso | en | |
| dc.source.bitstream | archive/lib.dr.iastate.edu/chem_pubs/395/2000_Gordon_ResponseClusterStudy.pdf|||Fri Jan 14 23:56:09 UTC 2022 | |
| dc.source.uri | 10.1063/1.1320059 | |
| dc.subject.disciplines | Chemistry | |
| dc.subject.keywords | Density functional theory | |
| dc.title | Response to “Comment on ‘An Ab Initio Cluster Study of the Structure of the Si(001) Surface’ ” [J. Chem. Phys. 113, 9353 (2000)] | |
| dc.type | article | |
| dc.type.genre | article | |
| dspace.entity.type | Publication | |
| relation.isAuthorOfPublication | 1a5927c0-5a5f-440e-86e0-9da8dc6afda0 | |
| relation.isOrgUnitOfPublication | 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11 |
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