Correlation Consistent Basis Sets with Relativistic Effective Core Potentials: The Transition Metal Elements Y and Hg

2007 ◽  
pp. 125-151 ◽  
Author(s):  
Kirk A. Peterson
Keyword(s):  
Transition Metal ◽  
Basis Sets ◽  
Metal Elements ◽  
Correlation Consistent ◽  
Consistent Basis ◽  
Effective Core Potentials ◽  
Transition Metal Elements

scholarly journals Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets

2009 ◽  
Vol 113 (30) ◽  
pp. 8607-8614 ◽  
Author(s):  
Sammer M. Tekarli ◽  
Michael L. Drummond ◽  
T. Gavin Williams ◽  
Thomas R. Cundari ◽  
Angela K. Wilson
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Density Functional ◽  
Basis Sets ◽  
Functional Theory ◽  
Correlation Consistent ◽  
Consistent Basis

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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