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

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


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.


Quantum Mechanical Operator Lanczos Iteration Maximum Excitation Energy Lanczos Step External Homogeneous Electric Field 
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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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