scholarly journals DFT Optimized All-Electron Basis Sets for Gradient Corrected Functionals: 4d Transition Metals

2007 ◽  
Vol 3 (2) ◽  
pp. 201-213 ◽  
Author(s):  
Patrizia Calaminici ◽  
Roberto Mejia-Olvera
Keyword(s):  
Transition Metals ◽  
Basis Sets

Atomic natural orbital basis sets for transition metals

1993 ◽  
Vol 86 (1-2) ◽  
pp. 13-24 ◽  
Author(s):  
Charles W. Bauschlicher ◽  
Peter R. Taylor
Keyword(s):  
Transition Metals ◽  
Basis Sets ◽  
Natural Orbital ◽  
Orbital Basis ◽  
Atomic Natural Orbital

Extended slater basis sets for the transition metals scandium through zinc

1988 ◽  
Vol 92 (16) ◽  
pp. 4588-4590 ◽  
Author(s):  
Lillian M. Hansen ◽  
Dennis S. Marynick
Keyword(s):  
Transition Metals ◽  
Basis Sets ◽  
Slater Basis

Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc–Zn

2008 ◽  
Vol 128 (14) ◽  
pp. 144122 ◽  
Author(s):  
Nicholas J. Mayhall ◽  
Krishnan Raghavachari ◽  
Paul C. Redfern ◽  
Larry A. Curtiss ◽  
Vitaly Rassolov
Keyword(s):  
Transition Metals ◽  
Basis Sets
Sign in / Sign up

Export Citation Format

Share Document