Linked Life Data

12694414

Source:http://linkedlifedata.com/resource/pubmed/id/12694414

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
Pt 1
pubmed:dateCreated
2003-4-15
pubmed:abstractText
We review the current state of the art in EELS fingerprinting by computer simulation, focusing on the bandstructure approach to the problem. Currently calculations are made using a one electron theory, but we describe in principle the way to go beyond this to include final state effects. We include these effects within the one electron framework using the Slater transition state formula and assess the errors involved. Two examples are then given which illustrate the use of the one electron approximation within density functional theory. Our approach is to combine predicted atomic structure with predicted electronic structure to assist in fingerprinting of complex crystal structures.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Apr
pubmed:issn
0022-2720
pubmed:author
pubmed:issnType
Print
pubmed:volume
210
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
35-44
pubmed:dateRevised
2003-11-4
pubmed:year
2003
pubmed:articleTitle
Bandstructure approach to near edge structure.
pubmed:affiliation
School of Mathematics and Physics, Queen's University, Belfast BT7 1NN, UK. Tony.Paxton@QUB.ac.uk
pubmed:publicationType
Journal Article