The Liouville-Lanczos Approach to Time-Dependent Density-Functional (Perturbation) Theory

  • Stefano Baroni
  • Ralph Gebauer
Chapter
Part of the Lecture Notes in Physics book series (LNP, volume 837)

Abstract

Most current implementations of time-dependent density-functional theory are designed to deal with the lowest-lying portion of the spectrum (often just a few of the very first discrete lines) of systems consisting of up to a few tens of atoms. We introduce a method that allows for the simulation of extended portions of the spectrum of systems virtually of the same size as possibly treatable with state-of-art ground-state DFT techniques.

Keywords

Quantum Mechanical Operator Lanczos Iteration Maximum Excitation Energy Lanczos Step External Homogeneous Electric Field 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Copyright information

© Springer-Verlag Berlin Heidelberg  2012

Authors and Affiliations

  • Stefano Baroni
    • 1
  • Ralph Gebauer
    • 2
  1. 1.SISSA – Scuola Internazionale Superiore di Studi AvanzatiTriesteItaly
  2. 2.The Abdus Salam International Centre for Theoretical PhysicsTriesteItaly

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