Reduced Partitioning Procedure in Configuration Interaction Studies. I. Ground States

1972 ◽  
Vol 56 (11) ◽  
pp. 5467-5477 ◽  
Author(s):  
Rodney J. Bartlett ◽  
Erkki J. Brändas
Keyword(s):  
Configuration Interaction ◽  
Ground States ◽  
Interaction Studies ◽  
Partitioning Procedure

The Electronic Structure of Tetraphosphorus-and Tetraarsenic- Trisulphides; Interpretation of their Photoelectron Spectra

1983 ◽  
Vol 38 (1) ◽  
pp. 78-85 ◽  
Author(s):  
Michael H. Palmer ◽  
Robert H. Findlay
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Configuration Interaction ◽  
Photoelectron Spectrum ◽  
Ground States ◽  
Photoelectron Spectra ◽  
Interaction Studies ◽  
Koopmans Theorem ◽  
Scf Calculations

Abstract Ab initio SCF calculations of the X1A1 ground states of P4S3 and As4S3 are reported, together with configuration interaction studies of the 2 A1, 2 A1, 2 A2 and 2 E states of P4S3. A re-interpretation of the UV-photoelectron spectrum of the P4S3 molecule, and As4S3 by analogy, is presented and it is noted that Koopmans′ theorem yields a very similar order and spacing between groups to the doublet states computed by configuration interaction.

Configuration interaction studies on the spectroscopic properties of PbO including spin–orbit coupling

2016 ◽  
Vol 25 (7) ◽  
pp. 073101 ◽  
Author(s):  
Wang Luo ◽  
Rui Li ◽  
Zhiqiang Gai ◽  
RuiBo Ai ◽  
Hongmin Zhang ◽  
...  
Keyword(s):  
Configuration Interaction ◽  
Spectroscopic Properties ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Interaction Studies

Spin-extended and configuration-interaction studies of first-row atoms

2009 ◽  
Vol 2 (S2) ◽  
pp. 13-20 ◽  
Author(s):  
Uzi Kaldor ◽  
Henry F. Schaefer ◽  
Frank E. Harris
Keyword(s):  
Configuration Interaction ◽  
Interaction Studies
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