activity
20142026
most citedHigh-throughput determination of Hubbard U and Hund J values for transition metal oxides via linear response formalism

101 citations · 304 across the 17 of their papers we have counts for

collaborators
Showing physics.app-phShow all

1 paper · 1 filter

physics.app-ph2018★ 16 cited

Analysis of a capped carbon nanotube (CNT) with linear-scaling density-functional theory

C. J. Edgcombe, S. M. Masur, E. B. Linscott +2

The apex region of a capped (5,5) carbon nanotube (CNT) has been modelled with the DFT package ONETEP, using boundary conditions provided by a classical calculation with a conducti…