The Ab Initio Model Potential Method: A Common Strategy for Effective Core Potential and Embedded Cluster Calculations

1999 ◽  
pp. 55-152 ◽  
Author(s):  
Luis Seijo ◽  
Zoila Barandiarán
Keyword(s):  
Ab Initio ◽  
Potential Method ◽  
Model Potential ◽  
Effective Core Potential ◽  
Core Potential ◽  
Cluster Calculations ◽  
Common Strategy

scholarly journals The ab initio model potential method with the spin-free relativistic scheme by eliminating small components Hamiltonian

2001 ◽  
Vol 114 (14) ◽  
pp. 6000-6006 ◽  
Author(s):  
Kyosuke Motegi ◽  
Takahito Nakajima ◽  
Kimihiko Hirao ◽  
Luis Seijo
Keyword(s):  
Ab Initio ◽  
Potential Method ◽  
Model Potential

The spectrum of arsenic hydride: An ab initio configuration interaction study employing a relativistic effective core potential

1998 ◽  
Vol 108 (5) ◽  
pp. 2028-2040 ◽  
Author(s):  
Aleksey B. Alekseyev ◽  
Heinz-Peter Liebermann ◽  
Gerhard Hirsch ◽  
Robert J. Buenker
Keyword(s):  
Ab Initio ◽  
Configuration Interaction ◽  
Effective Core Potential ◽  
Interaction Study ◽  
Core Potential

Ab initio all-electron and effective core potential calculations on CuCl2?4

1988 ◽  
Vol 34 (S22) ◽  
pp. 245-255 ◽  
Author(s):  
John D. Westbrook ◽  
Karsten Krogh-Jespersen
Keyword(s):  
Ab Initio ◽  
Effective Core Potential ◽  
Core Potential
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