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http://hdl.handle.net/1942/2877
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | DELEUZE, Michael | - |
dc.contributor.author | Pickup, BT | - |
dc.contributor.author | Wilton, DJ | - |
dc.date.accessioned | 2007-11-20T10:40:01Z | - |
dc.date.available | 2007-11-20T10:40:01Z | - |
dc.date.issued | 2000 | - |
dc.identifier.citation | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 77(3). p. 625-640 | - |
dc.identifier.issn | 0020-7608 | - |
dc.identifier.uri | http://hdl.handle.net/1942/2877 | - |
dc.description.abstract | We present the theory of the electron propagator perturbed by an external electric field and show how it can be used to calculate a variety of one-electron linear response properties that are accurate through second order in electron correlation. Some illustrative calculations are discussed. (C) 2000 John Wiley & Sons, Inc. | - |
dc.language.iso | en | - |
dc.publisher | JOHN WILEY & SONS INC | - |
dc.subject.other | perturbation; polarization; correlation; propagator; Green's function | - |
dc.title | Calculation of molecular response properties with the second-order coupled perturbed electron propagator | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 640 | - |
dc.identifier.issue | 3 | - |
dc.identifier.spage | 625 | - |
dc.identifier.volume | 77 | - |
local.format.pages | 16 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | Limburgs Univ Ctr, Dept SBG, B-3590 Diepenbeek, Belgium. Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England.Deleuze, MS, Limburgs Univ Ctr, Dept SBG, Univ Campus, B-3590 Diepenbeek, Belgium. | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.bibliographicCitation.oldjcat | A1 | - |
dc.identifier.doi | 10.1002/(SICI)1097-461X(2000)77:3<625::AID-QUA4>3.0.CO;2-K | - |
dc.identifier.isi | 000085706000004 | - |
item.fulltext | No Fulltext | - |
item.contributor | DELEUZE, Michael | - |
item.contributor | Pickup, BT | - |
item.contributor | Wilton, DJ | - |
item.validation | ecoom 2001 | - |
item.accessRights | Closed Access | - |
item.fullcitation | DELEUZE, Michael; Pickup, BT & Wilton, DJ (2000) Calculation of molecular response properties with the second-order coupled perturbed electron propagator. In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 77(3). p. 625-640. | - |
Appears in Collections: | Research publications |
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