scholarly journals An Orbital Invariant Similarity Constrained Coupled Cluster Model

2019 ◽  
Vol 15 (10) ◽  
pp. 5386-5397 ◽  
Author(s):  
Eirik F. Kjønstad ◽  
Henrik Koch
Keyword(s):  
Cluster Model ◽  
Coupled Cluster

Inclusion of the (T) triples correction into the linear-r12 corrected coupled-cluster model CCSD(R12)

2006 ◽  
Vol 106 (11) ◽  
pp. 2306-2317 ◽  
Author(s):  
Heike Fliegl ◽  
Christof Hättig ◽  
Wim Klopper
Keyword(s):  
Cluster Model ◽  
Coupled Cluster

scholarly journals Towards the full coupled-cluster model with triples: a retrospective after 25 years

2010 ◽  
Vol 108 (21-23) ◽  
pp. 2933-2940
Author(s):  
Jozef Noga ◽  
Miroslav Urban
Keyword(s):  
Cluster Model ◽  
Coupled Cluster

Large scale polarizability calculations using the approximate coupled cluster model CC2 and MP2 combined with the resolution-of-the-identity approximation

2012 ◽  
Vol 136 (17) ◽  
pp. 174106 ◽  
Author(s):  
Daniel H. Friese ◽  
Nina O. C. Winter ◽  
Patrick Balzerowski ◽  
Raffael Schwan ◽  
Christof Hättig
Keyword(s):  
Cluster Model ◽  
Large Scale ◽  
Coupled Cluster ◽  
Resolution Of The Identity

Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2

2018 ◽  
Vol 20 (32) ◽  
pp. 21051-21061 ◽  
Author(s):  
Chetana Badala Viswanatha ◽  
Benjamin Helmich-Paris ◽  
Christof Hättig
Keyword(s):  
Cluster Model ◽  
Organic Molecules ◽  
Second Order ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Fluorescence And Phosphorescence ◽  
Coupled Cluster Calculations

The first coupled-cluster calculations for circularly polarised phosphorescence are reported using the second-order approximate singles and doubles model CC2.

Sign in / Sign up

Export Citation Format

Share Document