相关论文: Relativistic coupled-cluster single-double calcula…
The relativistic coupled-cluster single-double method is used to calculate the dependence of frequencies of strong $E1$-transitions in many monovalent atoms and ions on the fine-structure constant $\alpha$. These transitions are used in the…
Theory can provide important support at all the stages of spectroscopic experiments, from planning the measurements to the interpretation of the results. Such support is particularly valuable for the challenging experiments on heavy,…
A new relativistic method for calculation of positron binding to atoms is presented. The method combines a configuration interaction treatment of the valence electron and the positron with a many-body perturbation theory description of…
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 present the positron coupled cluster singles and doubles (POS-CCSD) method to calculate positron binding energies in molecules. This framework treats electrons and positrons on an equal footing and includes up to simultaneous…
The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and…
This work presents a first time accurate calculation of the magnetic dipole hyperfine structure constants for the ground state and some low-lying excited states of Pb$^+$. By comparing different levels of approximation with experimental…
Feshbach resonances are among the essential control tools used in ultracold atom experiments. However, for complex atomic species the theoretical characterization of resonances becomes challenging. For closely spaced resonances, the…
A relativistic version of the coupled-cluster single-double (CCSD) method is developed for atoms with a single valence electron. In earlier work, a linearized version of the CCSD method (with extensions to include a dominant class of triple…
We report the general implementation of the relativistic equation-of-motion coupled-cluster method to calculate double ionization spectra (DI-EOMCC) of atomic and molecular systems. As a first application, this method is employed to…
We report our successful implementation of the full fledged relativistic equation of motion coupled cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare gas atoms, He-like…
In the past decade, coupled-cluster theory has seen a renaissance in nuclear physics, with computations of neutron-rich and medium-mass nuclei. The method is efficient for nuclei with product-state references, and it describes many aspects…
We report the implementation of a general-order relativistic coupled-cluster method for performing high-precision calculations of atomic and molecular properties. As a first application, the static dipole polarizabilities of the ground and…
The coupled cluster calculations with accounting for relativistic effects to study spectroscopic and chemical properties of element 120 (E120) are performed. Similar calculations for Ba are also done and they are in a good agreement with…
A computational method is proposed to calculate bound and resonant states by solving the Klein-Gordon and Dirac equations for real and complex energies, respectively. The method is an extension of a non-relativistic one, where the potential…
The ultracold mixture of \Na and \Rb atoms has become an important system for investigating physics in Bose-Bose atomic mixtures and for forming ultracold ground-state polar molecules. In this work, we provide an improved characterization…
We use perturbed relativistic coupled-cluster (PRCC) theory to calculate the electric dipole polarizability of noble gas atoms Ar, Kr, Xe and Rn. We also provide a detailed description of the nonlinear terms in the PRCC theory and consider…
Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segr\`e chart. While coupled-cluster computations are especially efficient at…
Employing a short-range two-channel description we derive an analytic model of atoms in isotropic and anisotropic harmonic traps at a Feshbach resonance. On this basis we obtain a new parameterization of the energy-dependent scattering…
We have carried out a detailed and systematic study of the correlation energies of inert gas atoms Ne, Ar, Kr and Xe using relativistic many-body perturbation theory and relativistic coupled-cluster theory. In the relativistic…