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Calculation of molecular response properties with the second‐order coupled perturbed electron propagator
Author(s) -
Deleuze Michael S.,
Pickup Barry T.,
Wilton David J.
Publication year - 2000
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(2000)77:3<625::aid-qua4>3.0.co;2-k
Subject(s) - propagator , electron , electronic correlation , physics , order (exchange) , electric field , variety (cybernetics) , field (mathematics) , quantum electrodynamics , statistical physics , quantum mechanics , mathematics , pure mathematics , statistics , finance , economics
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. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 625–640, 2000