Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
2016 / 11 Vol. 135; Iss. 11
FASP: a framework for automation of Slater–Koster file parameterization
Lourenço, Maicon Pierre, da Silva, Maurício Chagas, Oliveira, Augusto Faria, Quintão, Matheus Campos, Duarte, Hélio A.Volume:
135
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-016-2001-y
Date:
November, 2016
File:
PDF, 1.34 MB
english, 2016