Extension of molecular electronic structure methods to the solid state: computation of the cohesive energy of lithium hydride

2006 ◽  
Vol 8 (44) ◽  
pp. 5178 ◽  
Author(s):  
F. R. Manby ◽  
D. Alf? ◽  
M. J. Gillan
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Cohesive Energy ◽  
Lithium Hydride ◽  
Molecular Electronic ◽  
Electronic Structure Methods ◽  
Molecular Electronic Structure

scholarly journals Assessment of basis sets for F12 explicitly-correlated molecular electronic-structure methods

2009 ◽  
Vol 107 (8-12) ◽  
pp. 963-975 ◽  
Author(s):  
Florian A. Bischoff ◽  
Sandra Wolfsegger ◽  
David P. Tew ◽  
Wim Klopper
Keyword(s):  
Electronic Structure ◽  
Basis Sets ◽  
Molecular Electronic ◽  
Electronic Structure Methods ◽  
Explicitly Correlated ◽  
Molecular Electronic Structure

Mechanism and Molecular−Electronic Structure Correlations in a Novel Series of Osmium(V) Hydrazido Complexes

2000 ◽  
Vol 39 (14) ◽  
pp. 3075-3085 ◽  
Author(s):  
My Hang V. Huynh ◽  
El-Sayed El-Samanody ◽  
Konstantinos D. Demadis ◽  
Peter S. White ◽  
Thomas J. Meyer
Keyword(s):  
Electronic Structure ◽  
Molecular Electronic ◽  
Structure Correlations ◽  
Molecular Electronic Structure
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