TY  - JOUR
AU  - Sánchez Torralba, Antonio
AU  - Todorovic, Milica
AU  - Brázdová, Veronika
AU  - Choudhury, Rajdeep
AU  - Miyazaki, Tsuyoshi
AU  - Gillan, Michael
AU  - Bowler, David
PY  - 2008
DO  - 10.1088/0953-8984/20/29/294206
SN  - 0953-8984
UR  - https://hdl.handle.net/20.500.14352/117088
T2  - Journal of Physics: Condensed Matter
AB  - Various aspects of the implementation of pseudo-atomic orbitals (PAOs) as basis functions for the linear scaling CONQUEST code are presented. Preliminary results for the assignment of a large set of PAOs to a smaller space of support functions are...
LA  - eng
M2  - 294206
PB  - IOP Publishing
KW  - Density Functional Theory
KW  - Orden N algorithms
KW  - Atomistic simulations
KW  - Electronic structure
TI  - Pseudo-atomic orbitals as basis sets for the O(N) DFT code CONQUEST
TY  - journal article
VL  - 20
ER  -