17280437

Source:http://linkedlifedata.com/resource/pubmed/id/17280437

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Predicate	Object
rdf:type	pubmed:Citation
lifeskim:mentions	umls-concept:C0087111, umls-concept:C0178587, umls-concept:C0205208, umls-concept:C0331858, umls-concept:C0337037, umls-concept:C1704640, umls-concept:C1706515
pubmed:issue	26
pubmed:dateCreated	2007-2-6
pubmed:abstractText	We develop a novel linear-scaling [O(N)] algorithm for calculating the optical dielectric constant and Born effective charge. Our method relies on the fact that only the sum of the nondiagonal parts of the electric field perturbation in solids contributes to the first-order derivative density matrix, which can then be obtained through the density-matrix perturbation method. The optical dielectric constant of amorphous SiO(2) is computed using a realistic model for the first time.
pubmed:language	eng
pubmed:journal	http://linkedlifedata.com/resource/pubmed/journal/0401141
pubmed:status	PubMed-not-MEDLINE
pubmed:month	Dec
pubmed:issn	0031-9007
pubmed:author	pubmed-author:GohK TKT, pubmed-author:XiangH JHJ, pubmed-author:YangJinlongJ, pubmed-author:ZhuQingshiQ
pubmed:issnType	Print
pubmed:day	31
pubmed:volume	97
pubmed:owner	NLM
pubmed:authorsComplete	Y
pubmed:pagination	266402
pubmed:year	2006
pubmed:articleTitle	Linear-scaling density matrix perturbation treatment of electric fields in solids.
pubmed:affiliation	Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
pubmed:publicationType	Journal Article