Miyazaki, T and Bowler, DR and Choudhury, R and Gillan, MJ (2004) Atomic force algorithms in DFT electronic-structure techniques based on local orbitals. The Journal of Chemical Physics , 121 6186 - ?.
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|Title:||Atomic force algorithms in DFT electronic-structure techniques based on local orbitals|
|Keywords:||Atomic, force, algorithms, DFT, electronic-structure, techniques|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology|
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