Equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields

2017 ◽  
Vol 146 (15) ◽  
pp. 154105 ◽  
Author(s):  
Florian Hampe ◽  
Stella Stopkowicz
Keyword(s):  
Magnetic Fields ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Strong Magnetic Fields ◽  
Atoms And Molecules ◽  
Coupled Cluster Methods ◽  
Cluster Methods

Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields

2020 ◽  
Vol 22 (41) ◽  
pp. 23522-23529
Author(s):  
Florian Hampe ◽  
Niklas Gross ◽  
Stella Stopkowicz
Keyword(s):  
Magnetic Fields ◽  
Theoretical Prediction ◽  
Finite Field ◽  
Electronic Spectra ◽  
Accurate Method ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Excitation Energies ◽  
Strong Magnetic Fields ◽  
Cluster Methods

Finite-field EOM-CCSDT: a highly accurate method for the theoretical prediction of excitation energies and electronic spectra in strong magnetic fields.

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