Ab initio effective core potentials for molecular calculations. II. All‐electron comparisons and modifications of the procedure

1978 ◽  
Vol 68 (7) ◽  
pp. 3059-3066 ◽  
Author(s):  
P. Jeffrey Hay ◽  
Willard R. Wadt ◽  
Luis R. Kahn
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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