Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

1985 ◽  
Vol 82 (1) ◽  
pp. 299-310 ◽  
Author(s):  
P. Jeffrey Hay ◽  
Willard R. Wadt
Keyword(s):  
Ab Initio ◽  
Molecular Calculations ◽  
Effective Core Potentials

scholarly journals Improved ab initio effective core potentials for molecular calculations

1979 ◽  
Vol 71 (11) ◽  
pp. 4445-4450 ◽  
Author(s):  
Phillip A. Christiansen ◽  
Yoon S. Lee ◽  
Kenneth S. Pitzer
Keyword(s):  
Ab Initio ◽  
Molecular Calculations ◽  
Effective Core Potentials
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