scholarly journals Ab initio model potential study of pressure effects on K2NaGaF6:Cr3+

1993 ◽  
Vol 98 (5) ◽  
pp. 4041-4046 ◽  
Author(s):  
Luis Seijo ◽  
Zoila Barandiarán ◽  
Lars G. M. Pettersson
Keyword(s):  
Ab Initio ◽  
Model Potential ◽  
Pressure Effects ◽  
Potential Study

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

On the nature of the ground state of Cr(V) defects in YVO4: An ab initio model potential embedded-cluster study

2002 ◽  
Vol 90 (2) ◽  
pp. 751-758 ◽  
Author(s):  
José Luis Pascual ◽  
Zoila Barandiarán ◽  
Luis Seijo
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Model Potential
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