Theoretical estimates of quadrupole polarization and dynamical correlation effects in single-valence-electron ions

1981 ◽  
Vol 23 (1) ◽  
pp. 362-365 ◽  
Author(s):  
L. J. Curtis
Keyword(s):  
Valence Electron ◽  
Correlation Effects ◽  
Dynamical Correlation

scholarly journals Same-spin dynamical correlation effects on the electron localization

2015 ◽  
Vol 2015 (1) ◽  
pp. 1-14
Author(s):  
Stefano Pittalis ◽  
Alain Delgado ◽  
◽  
Carlo Andrea Rozzi ◽  
◽  
...  
Keyword(s):  
Electron Localization ◽  
Correlation Effects ◽  
Dynamical Correlation

scholarly journals Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

2017 ◽  
Vol 19 (14) ◽  
pp. 9374-9391 ◽  
Author(s):  
Yury Minenkov ◽  
Giovanni Bistoni ◽  
Christoph Riplinger ◽  
Alexander A. Auer ◽  
Frank Neese ◽  
...  
Keyword(s):  
Electron Correlation ◽  
Alkaline Earth ◽  
Valence Electron ◽  
Alkaline Earth Metals ◽  
Coupled Cluster ◽  
Correlation Effects ◽  
Critical Importance ◽  
Natural Orbital ◽  
Cluster Reaction ◽  
Electron Correlation Effects

The sub-valence electron correlation effects are of critical importance for accurate energetics of alkali and alkaline-earth complexes from (DLPNO-)CCSD(T) calculations.

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