Ground and excited states of PtCH2+: assessment of the no-pair Douglas–Kroll ab initio model potential method

2000 ◽  
Vol 2 (11) ◽  
pp. 2481-2488 ◽  
Author(s):  
Frank Rakowitz ◽  
Christel M. Marian ◽  
Bernd Schimmelpfennig
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Potential Method ◽  
Model Potential

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

scholarly journals The ab initio model potential method. First series transition metal elements

1989 ◽  
Vol 91 (11) ◽  
pp. 7011-7017 ◽  
Author(s):  
Luis Seijo ◽  
Zoila Barandiarán ◽  
Sigeru Huzinaga
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Potential Method ◽  
Model Potential ◽  
Metal Elements ◽  
Transition Metal Elements

scholarly journals The ab initio model potential method: Lanthanide and actinide elements

2001 ◽  
Vol 114 (1) ◽  
pp. 118 ◽  
Author(s):  
Luis Seijo ◽  
Zoila Barandiarán ◽  
Eduardo Harguindey
Keyword(s):  
Ab Initio ◽  
Potential Method ◽  
Model Potential ◽  
Actinide Elements

scholarly journals The ab initio model potential method. Second series transition metal elements

1990 ◽  
Vol 93 (8) ◽  
pp. 5843-5850 ◽  
Author(s):  
Zoila Barandiarán ◽  
Luis Seijo ◽  
Sigeru Huzinaga
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Potential Method ◽  
Model Potential ◽  
Metal Elements ◽  
Transition Metal Elements

scholarly journals The ab initio model potential method. Main group elements

1987 ◽  
Vol 86 (4) ◽  
pp. 2132-2145 ◽  
Author(s):  
Sigeru Huzinaga ◽  
Luis Seijo ◽  
Zoila Barandiarán ◽  
Mariusz Klobukowski
Keyword(s):  
Ab Initio ◽  
Potential Method ◽  
Model Potential ◽  
Main Group ◽  
Main Group Elements

ELECTRON CORRELATION EFFECTS FOR DOUBLY-EXCITED STATES OF Be-LIKE Ar14+ ION

2004 ◽  
Vol 18 (17n19) ◽  
pp. 2590-2594
Author(s):  
BINGCONG GOU ◽  
YIDONG LIU ◽  
FENG WANG
Keyword(s):  
Excited States ◽  
Potential Method ◽  
Model Potential ◽  
Interaction Method ◽  
Configuration Interaction Method ◽  
Doubly Excited States ◽  
Quantum Numbers ◽  
Doubly Excited ◽  
Core Electrons ◽  
Electron Correlation Effects

The energies, radiative and Auger rates of the doubly excited states of Be-like Ar 14+ ion are studied by using the multi-configuration-interaction method and model potential method. The doubly excited states of Be-like Ar 14+ are labeled by the quantum numbers K, T and A to show the systematic regularity. The results show that the spectroscopy of Be-like ions is different from that of He-like ions because of the polarization and core penetration effects from the 1s2 core electrons.

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