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http://hdl.handle.net/1942/2877| Title: | Calculation of molecular response properties with the second-order coupled perturbed electron propagator | Authors: | DELEUZE, Michael Pickup, BT Wilton, DJ |
Issue Date: | 2000 | Publisher: | JOHN WILEY & SONS INC | Source: | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 77(3). p. 625-640 | 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. | 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. | Keywords: | perturbation; polarization; correlation; propagator; Green's function | Document URI: | http://hdl.handle.net/1942/2877 | DOI: | 10.1002/(SICI)1097-461X(2000)77:3<625::AID-QUA4>3.0.CO;2-K | ISI #: | 000085706000004 | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2001 |
| Appears in Collections: | Research publications |
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