Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids

  1. Del Rio, B.G.
  2. Dieterich, J.M.
  3. Carter, E.A.
Aldizkaria:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Argitalpen urtea: 2017

Alea: 13

Zenbakia: 8

Orrialdeak: 3684-3695

Mota: Artikulua

DOI: 10.1021/ACS.JCTC.7B00565 GOOGLE SCHOLAR