Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

1985 ◽  
Vol 82 (1) ◽  
pp. 270-283 ◽  
Author(s):  
P. Jeffrey Hay ◽  
Willard R. Wadt
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Molecular Calculations ◽  
Effective Core Potentials

Model potentials for molecular calculations. I. The sd-MP set for transition metal atoms Sc through Hg

1987 ◽  
Vol 8 (3) ◽  
pp. 226-255 ◽  
Author(s):  
Yoshiko Sakai ◽  
Eisaku Miyoshi ◽  
Mariusz Klobukowski ◽  
Sigeru Huzinaga
Keyword(s):  
Transition Metal ◽  
Model Potentials ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Molecular Calculations

Model potentials for molecular calculations. II. The spd-MP set for transition metal atoms Sc through Hg

1987 ◽  
Vol 8 (3) ◽  
pp. 256-264 ◽  
Author(s):  
Yoshiko Sakai ◽  
Eisaku Miyoshi ◽  
Mariusz Klobukowski ◽  
Sigeru Huzinaga
Keyword(s):  
Transition Metal ◽  
Model Potentials ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Molecular Calculations
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