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Lecture Yaroslav Pavlyukh

Roster

WhenWhere
26 March 2008 FWN-Building 5114.0001 (VIP room), Nijenborgh 4, 9747 AG, Groningen
Speaker: Dr. Yaroslav Pavlyukh
Affiliation: Institut für Physik, Martin-Luther-Universität Halle
Title: Configuration interaction vs. Green's function approach
Date: Wed Mar 26, 2008
Start: 11.00
Location: FWN-Building 5114.0001 (VIP room)
Host: Ria Broer
Telephone: +31 50 363 4374

Abstract

Application of the many-body perturbation theory to realistic systems relies on the knowledge of single- and two-particle correlation functions.The Configuration Interaction (CI) approach widely adopted in quantum chemistry provides information on the excited states of the system and, thus, allows to compute the screened Coulomb interaction (a 2-particle quantity) from first principles. In this way one can systematically go beyond the random phase approximation (RPA). This is beneficial for finite systems such as molecules or clusters where the screening is more complex than in bulk systems. I will present a theory that combines the CI and Green’s function methods and show calculations of the electron self-energy and quasiparticle life-times using the GW approximation for Na9+, C2 and Na9+@Cu(001 ) systems.

 

Y. Pavlyukh and W. Hübner, Phys. Rev. B 75, 205129 (2007)

 

Last modified:22 October 2012 2.30 p.m.