Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors
Author:
Publisher
MDPI AG
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Spectroscopy,Molecular Biology,General Medicine,Catalysis
Link
http://www.mdpi.com/1422-0067/4/12/586/pdf
Reference18 articles.
1. Ground-state properties of MH, MCl, and M2 (M=Cu, Ag, and Au) calculated by a scalar relativistic density functional theory
2. A spin-adapted linear response theory in a coupled-cluster framework for direct calculation of spin-allowed and spin-forbidden transition energies
3. Application of linear response function theory in a coupled-cluster framework
4. Application of a spin-adapted coupled-cluster based linear response theory
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1. Fock-space multireference coupled cluster calculations of Auger energies of noble gas elements using relativistic spinors;The Journal of Chemical Physics;2019-08-21
2. Implementation and application of the relativistic equation-of-motion coupled-cluster method for the excited states of closed-shell atomic systems;Physical Review A;2014-06-19
3. Relativistic effective valence shell Hamiltonian method: Excitation and ionization energies of heavy metal atoms;The Journal of Chemical Physics;2005-05-22
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