Effect of three-body transformed Hamiltonian ( $$\tilde{H} _3 $$ H ~ 3 ) using full connected triple excitation coupled cluster operators on valence ionisation potentials of $$\hbox {Cl}_{2}$$ Cl 2 and $$\hbox {F}_{2}$$ F 2 computed via EIP-VUMRCCSD $$\uptau $$ τ scheme

Pramana ◽  
2018 ◽  
Vol 90 (3) ◽  
Author(s):  
Kalipada Adhikari
Keyword(s):  
Coupled Cluster ◽  
Three Body ◽  
Triple Excitation

scholarly journals Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians

2013 ◽  
Vol 88 (5) ◽  
Author(s):  
Sven Binder ◽  
Piotr Piecuch ◽  
Angelo Calci ◽  
Joachim Langhammer ◽  
Petr Navrátil ◽  
...  
Keyword(s):  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Three Body

A new spin-restricted triple excitation correction for coupled cluster theory

1997 ◽  
Vol 107 (19) ◽  
pp. 7943-7950 ◽  
Author(s):  
T. Daniel Crawford ◽  
Timothy J. Lee ◽  
Henry F. Schaefer
Keyword(s):  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Triple Excitation
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