scholarly journals Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. II

1999 ◽  
Vol 111 (23) ◽  
pp. 10436-10443 ◽  
Author(s):  
Frank Rakowitz ◽  
Christel M. Marian ◽  
Luis Seijo
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Core Model ◽  
Basis Sets ◽  
Model Potentials ◽  
Metal Elements ◽  
Valence Basis Sets ◽  
Transition Metal Elements

scholarly journals The ab initio model potential method. First series transition metal elements

1989 ◽  
Vol 91 (11) ◽  
pp. 7011-7017 ◽  
Author(s):  
Luis Seijo ◽  
Zoila Barandiarán ◽  
Sigeru Huzinaga
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Potential Method ◽  
Model Potential ◽  
Metal Elements ◽  
Transition Metal Elements

scholarly journals The ab initio model potential method. Second series transition metal elements

1990 ◽  
Vol 93 (8) ◽  
pp. 5843-5850 ◽  
Author(s):  
Zoila Barandiarán ◽  
Luis Seijo ◽  
Sigeru Huzinaga
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Potential Method ◽  
Model Potential ◽  
Metal Elements ◽  
Transition Metal Elements

Tight-binding parametrization of transition metal elements from LCAO ab initio Hamiltonians

1998 ◽  
Vol 9 (3-4) ◽  
pp. 343-347 ◽  
Author(s):  
Akito Taneda ◽  
Keivan Esfarjani ◽  
Zhi-Qiang Li ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Tight Binding ◽  
Metal Elements ◽  
Transition Metal Elements

New Class of Diluted Ferromagnetic Semiconductors based on CaO without Transition Metal Elements

2004 ◽  
Vol 43 (No. 7A) ◽  
pp. L934-L936 ◽  
Author(s):  
Kazuhide Kenmochi ◽  
Masayoshi Seike ◽  
Kazunori Sato ◽  
Akira Yanase ◽  
Hiroshi Katayama-Yoshida
Keyword(s):  
Transition Metal ◽  
Ferromagnetic Semiconductors ◽  
Metal Elements ◽  
New Class ◽  
Transition Metal Elements

scholarly journals Polarizable Charge Equilibration Model for Transition-Metal Elements

2018 ◽  
Vol 122 (48) ◽  
pp. 9350-9358 ◽  
Author(s):  
Soonho Kwon ◽  
Saber Naserifar ◽  
Hyuck Mo Lee ◽  
William A. Goddard
Keyword(s):  
Transition Metal ◽  
Metal Elements ◽  
Charge Equilibration ◽  
Equilibration Model ◽  
Transition Metal Elements

scholarly journals Preparation and Magnetic Properties of X-type Hexaferrites with Transition Metal Elements

2010 ◽  
Vol 57 (12) ◽  
pp. 809-813
Author(s):  
Nobuyuki Hosaka ◽  
Kenji Kamishima ◽  
Koichi Kakizaki ◽  
Nobuyuki Hiratsuka
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Metal Elements ◽  
Transition Metal Elements
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