Ab initio coupled-cluster calculations of isotropic hyperfine splitting in some diatomic hydrides

1990 ◽  
Vol 94 (15) ◽  
pp. 5734-5740 ◽  
Author(s):  
Ian. Carmichael
Keyword(s):  
Ab Initio ◽  
Hyperfine Splitting ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Ab initio coupled cluster calculations for nuclei using methods of quantum chemistry

2009 ◽  
pp. 485-488
Author(s):  
M. Włoch ◽  
D. J. Dean ◽  
J. R. Gour ◽  
P. Piecuch ◽  
M. Hjorth-Jensen ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Ab Initio ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Ab initio coupled cluster calculations for nuclei using methods of quantum chemistry

2005 ◽  
Vol 25 (S1) ◽  
pp. 485-488 ◽  
Author(s):  
M. Włoch ◽  
D. J. Dean ◽  
J. R. Gour ◽  
P. Piecuch ◽  
M. Hjorth-Jensen ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Ab Initio ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Ab initio calculations on the ground and excited electronic states of neutral and charged palladium monoxide, PdO0,+,−

2018 ◽  
Vol 20 (21) ◽  
pp. 14578-14586 ◽  
Author(s):  
Nuno M. S. Almeida ◽  
Isuru R. Ariyarathna ◽  
Evangelos Miliordos
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Configuration Interaction ◽  
Photoelectron Spectrum ◽  
Electronic States ◽  
Reference Configuration ◽  
Coupled Cluster ◽  
Excited Electronic States ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Multi-reference configuration interaction and coupled cluster calculations were carried out for the ground and several low-lying excited electronic states for PdO, PdO+, and PdO−. The photoelectron spectrum peaks of PdO were assigned.

scholarly journals Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning

2021 ◽  
Vol 154 (4) ◽  
pp. 044110
Author(s):  
Valay Agarawal ◽  
Samrendra Roy ◽  
Anish Chakraborty ◽  
Rahul Maitra
Keyword(s):  
Nonlinear Dynamics ◽  
Machine Learning ◽  
Supervised Machine Learning ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations
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