Relativistic coupled-cluster and equation-of-motion coupled-cluster methods

Relativistic coupled-cluster and equation-of-motion coupled-cluster methods

The development of relativistic coupled-cluster (CC) and equation-of-motion coupled-cluster (EOM-CC) methods is reviewed. An emphasis is placed on recent efforts to improve the computational efficiency of CC and EOM-CC calculations with non-perturbative treatments of spin-orbit coupling (SO-CC and E...

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Bibliographic Details
Main Authors: Cheng, L. (Author), Liu, J. (Author)
Format: Article
Language:English
Published: John Wiley and Sons Inc 2021
Subjects:
Ab initio electronic structure methods
Calculations
Chemical elements
Cluster analysis
Computation theory
Computational efficiency
Core-excited state
coupled cluster theory
Coupled clusters
coupled-cluster method
Electronic ground state
Electronic structure
electronic structure theory
Electronic structure theory
equation of motion coupled cluster methods
Equation of motion coupled clusters
Equations of motion
exact two-component theory
Excited states
Ground state
Heavy elements
Numerical methods
Perturbative treatment
relativistic effects
relativistic quantum chemistry
Spin orbit coupling
spin-orbit coupling
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