Fast computation of DFT nuclear gradient with multiresolution** This article is dedicated to Dr. Russell J. Boyd for his distinguished career in chemical research.

Author: Russ Nicholas J.   Chang Chun-min   Kong Jing  

Publisher: NRC Research Press

ISSN: 1480-3291

Source: Canadian Journal of Chemistry, Vol.89, Iss.6, 2011-06, pp. : 657-662

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

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