Fast electron-correlation methods for molecular crystals: An application to the α, β1, and β2 modifications of solid formic acid

2008 ◽  
Vol 129 (20) ◽  
pp. 204104 ◽  
Author(s):  
So Hirata
Keyword(s):  
Formic Acid ◽  
Electron Correlation ◽  
Fast Electron ◽  
Molecular Crystals ◽  
Correlation Methods

Fast electron correlation methods for molecular clusters in the ground and excited states

2005 ◽  
Vol 103 (15-16) ◽  
pp. 2255-2265 ◽  
Author(s):  
So Hirata † ◽  
Marat Valiev ◽  
Michel Dupuis ◽  
Sotiris S. Xantheas ◽  
Shinichiro Sugiki ◽  
...  
Keyword(s):  
Excited States ◽  
Electron Correlation ◽  
Fast Electron ◽  
Molecular Clusters ◽  
Correlation Methods

Calculation of the solvation state of organolithium compounds: Effects of basis sets and electron correlation methods

2009 ◽  
Vol 109 (1) ◽  
pp. 34-42 ◽  
Author(s):  
Lawrence M. Pratt ◽  
Darrel Jones ◽  
Andrea Sease ◽  
Donta Busch ◽  
Emmanuel Faluade ◽  
...  
Keyword(s):  
Electron Correlation ◽  
Basis Sets ◽  
Solvation State ◽  
Organolithium Compounds ◽  
Correlation Methods
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