Art

J-GLOBAL ID：201902217684045979   Reference number：19S0660913

Parametrization scheme with accuracy and transferability for tight-binding electronic structure calculations with extended Hückel approximation and molecular dynamics simulations

Author (2)： Nishino, Shinya (Center for Research and Development of Higher Education, University of Tokyo) ,  Fujiwara, Takeo (Center for Research and Development of Higher Education, University of Tokyo)
Material： Journal of Molecular Modeling
Volume： 19  Issue： 6  Page： 2363-2373  Publication year： 2013 
JST Material Number： SCOPUS  ISSN： 1610-2940  CODEN： JMMOF 
Country of issue： Germany (DEU)  Language： English (EN)

Terms in the title (1)： Scheme