Potential Energy Curves for the Low-Lying Electronic States of KLi with Fock Space Coupled Cluster Method

2016 ◽  
pp. 201-216 ◽  
Author(s):  
Monika Musiał ◽  
Anna Motyl ◽  
Patrycja Skupin ◽  
Stanisław A. Kucharski
Keyword(s):  
Potential Energy ◽  
Fock Space ◽  
Electronic States ◽  
Potential Energy Curves ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method

Coupled-cluster method in Fock space. II. Brueckner-Hartree-Fock method

1985 ◽  
Vol 32 (2) ◽  
pp. 743-747 ◽  
Author(s):  
Leszek Z. Stolarczyk ◽  
Hendrik J. Monkhorst
Keyword(s):  
Fock Space ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Hartree Fock

High sectors in the Fock space coupled-cluster method

1992 ◽  
Vol 194 (1-2) ◽  
pp. 99-104 ◽  
Author(s):  
S.R. Hughes ◽  
Uzi Kaldor
Keyword(s):  
Fock Space ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method

scholarly journals Revisiting the F + HCl → HF + Cl reaction using a multireference coupled-cluster method

2016 ◽  
Vol 18 (44) ◽  
pp. 30241-30253 ◽  
Author(s):  
Yuri Alexandre Aoto ◽  
Andreas Köhn
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Excellent Agreement ◽  
Rate Constant ◽  
Energy Surface ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Title Reaction

A potential energy surface for the title reaction is constructed using a multireference coupled-cluster method, giving rate constant in excellent agreement with experiments.

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