79 citations · 111 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2012★ 32 cited
Lithium Subhydrides Under Pressure and their Superatom-Like Building Blocks
James Hooper, Eva Zurek
Evolutionary structure searches are used to predict a new class of compounds in the lithium--rich region of the lithium/hydrogen phase diagram under pressure. First principles comp…
cond-mat.mtrl-sci2012★ 79 cited
Rubidium Polyhydrides Under Pressure: Emergence of the Linear H3- Anion
James Hooper, Eva Zurek
The structures of compressed rubidium polyhydrides, RbHn with n>1, and their evolution under pressure are studied using density functional theory calculations. These phases, which…
cond-mat.str-el2005
NMTO Wannier-like functions for insulators and metals
Eva Zurek, Ove Jepsen, Ole K. Andersen
Within this paper we outline a method able to generate truly minimal basis sets which describe either a group of bands, a band, or even just the occupied part of a band accurately.…