Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory

  1. Alonso, J.L.
  2. Andrade, X.
  3. Echenique, P.
  4. Falceto, F.
  5. Prada-Gracia, D.
  6. Rubio, A.
Journal:
Physical Review Letters

ISSN: 0031-9007 1079-7114

Year of publication: 2008

Volume: 101

Issue: 9

Type: Article

DOI: 10.1103/PHYSREVLETT.101.096403 GOOGLE SCHOLAR