Related papers: Relativistic general-order coupled-cluster method …
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 non-perturbative treatment of single and double excitations…
We present the first formulation and application of relativistic unitary coupled cluster theory to atomic properties. The remarkable features of this theory are highlighted, and it is used to calculate the lifetimes of $5^{2}D_{3/2}$ and…
We have developed a Fock-space relativistic coupled-cluster theory based method for the calculation of electric dipole polarizability of one-valence atoms and ions. We employ this method to compute the ground-state and spin-orbit coupled…
We study the electron correlation effects in the calculations of isotope shifts in Na and Mg+ using the relativistic coupled-cluster method. The trends of the correlation effects are explicitly discussed and comparison of the present…
Our study is motivated by the prospect of several metastable states in the Sb$ ^{+} $, Au$ ^{+} $, and Hg$ ^{2+} $ ions being used as possible candidates for optical clocks. We calculate several atomic properties relevant to the development…
Extensive calculations of the electric-dipole matrix elements in alkali-metal atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of…
We have further developed and extended a method for calculation of atomic properties based on a combination of the configuration interaction and coupled-cluster approach. We have applied this approach to the calculation of different…
A variational solution procedure is reported for the many-particle no-pair Dirac-Coulomb-Breit Hamiltonian aiming at a parts-per-billion (ppb) convergence of the atomic and molecular energies, described within the fixed nuclei…
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles and approximate triples…
The finite field calculations are performed for two heavy frequency-standard candidates In$^+$ and Sr. The progressive hierarchy of electron correlations is implemented by the relativistic coupled-cluster and configuration interaction…
Relativistic coupled-cluster single-double approximation is used to calculate positron-atom bound states. The method is tested on closed-shell atoms such as Be, Mg, Ca, Zn, Cd, and Hg where a number of accurate calculations is available. It…
We have developed a relativistic coupled-cluster theory to incorporate nuclear spin-dependent interaction Hamiltonians perturbatively. This theory is ideal to calculate parity violating nuclear spin-dependent electric dipole transition…
Collisions between background gas particles and the trapped ion in an atomic clock can subtly shift the frequency of the clock transition. The uncertainty in the correction for this effect makes a significant contribution to the total…
Atomic clocks use atomic transitions as frequency references. The susceptibility of the atomic transition to external fields limits clock stability and introduces systematic frequency shifts. Here, we propose to realize an atomic clock that…
In this study, accurate static dipole polarizability and hyperpolarizability are calculated for Al$^+$ ground state 3s$^{2}$ $^{1}$S$_{0}$ and excited state $3s3p$ $^{3}$P$_{J}$ with $J$=0, 1, 2. The finite-field computations use energies…
The magnetic dipole and electric quadrupole hyperfine constants of Aluminium ($^{27}Al$) atom are computed using the relativistic coupled cluster (CC) and unitary coupled cluster (UCC) methods. Effects of electron correlations are…
Collisions with background gas particles can shift the resonance frequencies of atoms in atomic clocks. The internal quantum states of atoms can also become entangled with their motional states due to the recoil imparted by a collision,…
Hyperfine constants and anomalies of ground as well as few low lying excited states of $^{113,115,117}$In III are studied with highly correlated relativistic coupled-cluster theory. The ground state hyperfine splitting of $^{115}$In III is…
We describe a framework for calculating the frequency shift and uncertainty of trapped-ion optical atomic clocks caused by background-gas collisions, and apply this framework to an $^{27}$Al$^+$ clock to enable a total fractional systematic…
The singly-ionized lutetium has a number of fortuitous properties well suited for a design of an optical clock and corresponding applications. In this work, we study Lu+ properties relevant to a development of the clock using the…