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

Authors
Deleuze, MS Pickup, BT Wilton, DJ
Citation
Ms. Deleuze et al., Calculation of molecular response properties with the second-order coupledperturbed electron propagator, INT J QUANT, 77(3), 2000, pp. 625-640
Citations number
51
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
77
Issue
3
Year of publication
2000
Pages
625 - 640
Database
ISI
SICI code
0020-7608(20000405)77:3<625:COMRPW>2.0.ZU;2-D
Abstract
We present the theory of the electron propagator perturbed by an external e lectric field and show how it can be used to calculate a variety of one-ele ctron linear response properties that are accurate through second order in electron correlation. Some illustrative calculations are discussed. (C) 200 0 John Wiley & Sons, Inc.