Correlation effects and electron delocalization in alternant hydrocarbon .pi. compounds

1992 ◽  
Vol 96 (2) ◽  
pp. 604-614 ◽  
Author(s):  
Johannes Schuett ◽  
Michael C. Boehm
Keyword(s):  
Electron Delocalization ◽  
Correlation Effects ◽  
Alternant Hydrocarbon

What correlation effects are covered by density functional theory?

2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Correlation Effects ◽  
Functional Theory

Correlation effects in double ionization of magnesium atom

1999 ◽  
Vol 09 (PR6) ◽  
pp. Pr6-101-Pr6-103 ◽  
Author(s):  
S. El Ghazouani ◽  
P. A. Hervieux ◽  
C. Dal Cappello ◽  
J. Langlois
Keyword(s):  
Double Ionization ◽  
Correlation Effects ◽  
Magnesium Atom

Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states

2020 ◽  
Vol 224 ◽  
pp. 333-347
Author(s):  
Katarzyna Pernal ◽  
Oleg V. Gritsenko
Keyword(s):  
Excited States ◽  
Correlation Energy ◽  
Correlation Effects ◽  
Dynamic Correlation

In this work we show that the presence of covalent and ionic configurations in a wavefunction gives rise to spatial regions where the effects of suppression and enhancement of correlation energy, respectively, dominate.

Exciton optical stark shift: Large detuning expansion and correlatíon effects

1991 ◽  
Vol 77 (9) ◽  
pp. 745-749 ◽  
Author(s):  
Odile Betbeder-Matibet ◽  
Monique Combescot
Keyword(s):  
Stark Shift ◽  
Correlation Effects
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