Relativistic effects in ab initio effective core potential studies of heavy metal compounds. Application to HgCl2, AuCl, and PtH

1979 ◽  
Vol 71 (2) ◽  
pp. 802-814 ◽  
Author(s):  
Harold Basch ◽  
Sid Topiol
Keyword(s):  
Heavy Metal ◽  
Ab Initio ◽  
Relativistic Effects ◽  
Effective Core Potential ◽  
Metal Compounds ◽  
Core 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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