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

✍ Scribed by Michael S. Deleuze; Barry T. Pickup; David J. Wilton

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 575 KB
Volume: 77
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(2000)77:3<625::aid-qua4>3.0.co;2-k

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✦ Synopsis

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.

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