On the Importance of the Orbital Relaxation in Ground-State Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation

2011 ◽  
Vol 7 (12) ◽  
pp. 4012-4018 ◽  
Author(s):  
Marco Caricato ◽  
Giovanni Scalmani
Keyword(s):  
Ground State ◽  
Continuum Model ◽  
Polarizable Continuum Model ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Orbital Relaxation ◽  
Polarizable Continuum ◽  
Coupled Cluster Calculations

The ground-state potential energy curve of the radium dimer from relativistic coupled cluster calculations

2015 ◽  
Vol 143 (8) ◽  
pp. 084307 ◽  
Author(s):  
Tiago Quevedo Teodoro ◽  
Roberto Luiz Andrade Haiduke ◽  
Umakanth Dammalapati ◽  
Steven Knoop ◽  
Lucas Visscher
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Coupled Cluster ◽  
Energy Curve ◽  
Cluster Calculations ◽  
State Potential ◽  
Coupled Cluster Calculations
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