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Analytic energy derivatives in relativistic quantum chemistry
In this review, we discuss the current status of analytic derivative theory in relativistic
quantum chemistry. A brief overview of the basic theory for the available relativistic quantum …
quantum chemistry. A brief overview of the basic theory for the available relativistic quantum …
Relativistic Coupled-Cluster Theory of Atomic Parity Nonconservation: Application to
We report the result of our ab initio calculation of the 6 s 2 S 1/2→ 5 d 2 D 3/2 parity
nonconserving electric dipole transition amplitude in Ba+ 137 based on relativistic coupled …
nonconserving electric dipole transition amplitude in Ba+ 137 based on relativistic coupled …
Magnetic dipole hyperfine interactions in and the accuracies of the neutral weak interaction matrix elements
The relativistic coupled-cluster method is applied to calculate the magnetic dipole hyperfine
constant “A” of the 6 s 1/2, 6 p 1/2, 6 p 3/2, and 5 d 3/2 states of singly ionized barium. After …
constant “A” of the 6 s 1/2, 6 p 1/2, 6 p 3/2, and 5 d 3/2 states of singly ionized barium. After …
Ab initio determination of the lifetime of the 62P3/2 state for 207Pb+ by relativistic many-body theory
Relativistic coupled-cluster theory has been employed to calculate the lifetime of the 6 2 P
3/2 state of singly ionized lead (207 Pb) and compared with the corresponding values …
3/2 state of singly ionized lead (207 Pb) and compared with the corresponding values …
Electric dipole and quadrupole transition amplitudes for using the relativistic coupled-cluster method
We present our calculations of the electric dipole and quadrupole matrix elements for
transitions between low-lying bound states of Ba+ that are relevant for parity …
transitions between low-lying bound states of Ba+ that are relevant for parity …
Triple excitations in the relativistic coupled-cluster formalism and calculation of Na properties
A practical high-accuracy relativistic method of atomic structure calculations for univalent
atoms is presented. The method is rooted in the coupled-cluster formalism and includes …
atoms is presented. The method is rooted in the coupled-cluster formalism and includes …
Electric dipole polarizability of alkaline-earth-metal atoms from perturbed relativistic coupled-cluster theory with triples
The perturbed relativistic coupled-cluster (PRCC) theory is applied to calculate the electric
dipole polarizabilities of alkaline-earth-metal atoms. The Dirac-Coulomb-Breit atomic …
dipole polarizabilities of alkaline-earth-metal atoms. The Dirac-Coulomb-Breit atomic …
Perturbed coupled-cluster theory to calculate dipole polarizabilities of closed-shell systems: Application to Ar, Kr, Xe, and Rn
We use perturbed relativistic coupled-cluster (PRCC) theory to calculate the electric dipole
polarizability of the noble-gas atoms Ar, Kr, Xe, and Rn. We also provide a detailed …
polarizability of the noble-gas atoms Ar, Kr, Xe, and Rn. We also provide a detailed …
Theoretical studies of the parity-nonconserving transition amplitude in and associated properties
It is widely believed that the standard model of particle physics is just an intermediate step in
understanding the properties of the elementary physics in nature and the interactions …
understanding the properties of the elementary physics in nature and the interactions …
Enhanced role of electron correlation in the hyperfine interactions in states in alkaline-earth-metal ions
The low-lying n (= 3, 4, 5) d D 5∕ 2 2 states of alkaline-earth-metal ions are of vital
importance in a number of different physical applications. The hyperfine structure constants …
importance in a number of different physical applications. The hyperfine structure constants …