Density-Functional Perturbation Theory for Quasi-Harmonic Calculations

Baroni, Stefano; Giannozzi, Paolo; I. Isaev, É.

doi:10.2138/rmg.2010.71.3

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Density-Functional Perturbation Theory for Quasi-Harmonic Calculations

Shared by NobleBlocks on Jan 1, 2010 • 12:00 AM UTC

Authors:

Stefano Baroni

Paolo Giannozzi

É. I. Isaev

Abstract

Research Article| January 01, 2010 Density-Functional Perturbation Theory for Quasi-Harmonic Calculations Stefano Baroni; Stefano Baroni SISSA -- Scuola Internazionale Superiore di Studi Avanzati via Beirut 2-4, 34151 Trieste Grignano, Italy CNR-INFM Democritos National Simulation Center 34100 Tries...

Subject

Perturbation theory (quantum mechanics)

Perturbation (astronomy)

Density functional theory

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