Analytic response relativistic coupled-cluster theory: the first application to indium isotope shifts
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DOI: 10.1088/1367-2630/ab66dd
Abstract: With increasing demand for accurate calculation of isotope shifts of atomic systems for fundamental and nuclear structure research, an analytic energy derivative approach is presented in the relativistic coupled-cluster theory framework to determine the atomic… read more here.
Keywords: shift; cluster theory; isotope; coupled cluster ... See more keywords
Relativistic coupled-cluster-theory study for low-energy electron scattering with argon
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DOI: 10.1103/physreva.102.012824
Abstract: In this work, we carry out an comprehensive study for the electron scattering with atomic argon in the framework of relativistic box-variational method. The phase shifts first are extracted from relativistic coupled-cluster-theory calculations. Then the… read more here.
Keywords: relativistic coupled; study; coupled cluster; electron scattering ... See more keywords
Relativistic coupled-cluster theory analysis of energies, hyperfine structure constants, and dipole polarizabilities of Cd$^{+}$
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DOI: 10.1103/physreva.97.022512
Abstract: Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$) have been… read more here.
Keywords: structure constants; theory; relativistic coupled; coupled cluster ... See more keywords
Significance of Non-Linear Terms in the Relativistic Coupled-Cluster Theory in the Determination of Molecular Properties
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DOI: 10.3390/sym12050811
Abstract: The relativistic coupled-cluster (RCC) theory has been applied recently to a number of heavy molecules to determine their properties very accurately. Since it demands large computational resources, the method is often approximated to singles and… read more here.
Keywords: linear terms; theory; relativistic coupled; non linear ... See more keywords
Finite-Field Calculations of Transition Properties by the Fock Space Relativistic Coupled Cluster Method: Transitions between Different Fock Space Sectors
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DOI: 10.3390/sym12111845
Abstract: Reliable information on transition matrix elements of various property operators between molecular electronic states is of crucial importance for predicting spectroscopic, electric, magnetic and radiative properties of molecules. The finite-field technique is a simple and… read more here.
Keywords: finite field; space; transition; fock space ... See more keywords