TY  - JOUR
AU  - Gillan, Michael
AU  - Bowler, David
AU  - Sánchez Torralba, Antonio
AU  - Miyazaki, Tsuyoshi
PY  - 2007
DO  - 10.1016/j.cpc.2007.02.075
SN  - 0010-4655
UR  - https://hdl.handle.net/20.500.14352/116984
T2  - Computer Physics Communications
AB  - We summarize the principles underlying the conquest code for first-principles modeling of systems containing many thousands of atoms. Very recent technical developments implemented in the code are outlined. We give illustrations of physical systems...
LA  - eng
M2  - 14
PB  - Elsevier
KW  - Orden-N Density Functional Theory
KW  - Harris–Foulkes approximation
KW  - Electron density
KW  - Protein active site
TI  - Order-N first-principles calculations with the CONQUEST code
TY  - journal article
VL  - 177
ER  -