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Approximate Hessian for accelerating ab initio structure relaxation by force fitting
Chen, Zhanghui, Li, Jingbo, Li, Shushen, Wang, LinwangVolume:
89
Langue:
english
Journal:
Physical Review B
DOI:
10.1103/PhysRevB.89.144110
Date:
April, 2014
Fichier:
PDF, 618 KB
english, 2014