Calculation of molecular response properties with the second-order coupled perturbed electron propagator

Please use this identifier to cite or link to this item: 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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