相关论文: Relativistic and electron-correlation effects in s…
The article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb (DC)…
Recoil nucleon transferred polarization observables in coincidence quasielastic electron scattering are studied within the relativistic distorted wave impulse approximation. Results for response functions and polarization asymmetries are…
We have calculated static and dynamic electric dipole (E1) polarizabilities ($\alpha_F$) of the hyperfine levels of the clock transition precisely in $^{133}$Cs. The scalar, vector, and tensor components of $\alpha_F$ are estimated by…
The dynamic dipole polarizabilities for the Li atom and the Be+ ion in the 2s and 2p states are calculated using the variational method with a Hylleraas basis. The present polarizabilities represent the definitive values in the…
A relativistic coupled-cluster (RCC) theory is implemented to study electron impact excitations of atomic species. As a test case, the electron impact excitations of the $3s ~ ^2S_{1/2} - 3p ~ ^2P_{1/2;3/2}$ resonance transitions are…
We have carried out theoretical investigations of electron correlation effects on the atomic properties of the Ca atom trapped inside an attractive spherically symmetric potential well of an endohedral fullerene C$_{60}$ cluster.…
A cluster consisting of many atoms or molecules may be considered, in some circustances, to be a single large molecule with a well defined polarizability. Once the polarizability of such a cluster is known, one can evaluate certain…
We present high-precision ab initio calculations of the static and dynamic polarizability of the barium monohydroxide ($^{138}$BaOH) molecule, using relativistic coupled-cluster theory. By thoroughly investigating the dependence of the…
In heavy atoms and ions, nuclear structure effects are significantly enhanced due to the overlap of the electron wave functions with the nucleus. This overlap rapidly increases with the nuclear charge $Z$. We study the energy level shifts…
In this paper we report a theoretical study of the static dipole polarizability of two one-dimensional structures: (a) linear carbon chains C$_{n} (n=2-10)$ and (b) ladder-like planar boron chains B$_{n} (n=4-14)$. The polarizabilities of…
The scalar and tensor polarizabilities of the deuteron are calculated using the recently developed effective field theory that describes nucleon-nucleon interactions. Leading and next-to-leading order contributions in the perturbative…
The scaling of nuclear spin-dependent parity violating effects with increasing nuclear charge $Z$ is discussed in two series of isovalent open-shell diatomic molecules. The parameter $W_\mathrm{a}$ characterising the strength of parity…
We present revised measurements of the static electric dipole polarizabilities of K, Rb, and Cs based on atom interferometer experiments presented in [Phys. Rev. A 2015, 92, 052513] but now re-analyzed with new calibrations for the…
We calculate the nucleons' electromagnetic polarizabilities in heavy baryon chiral perturbation theory including all terms to order ${\cal O} (q^4)$. The chiral prediction of the electric polarizabilities for the neutron and the proton are…
Magnetic effects on free electron systems have been studied extensively in the context of spin-to-orbital angular momentum conversion. Starting from the Dirac equation, we derive a fully relativistic expression for the energy of free…
We have implemented relativistic formulations of DIP-EOMCCSD and DIP-EOMCCSDT within the 1eX2C and DC-, DCG-, and DCB-X2C frameworks. Direct comparisons against full 4c-DIP-EOMCCSD calculations show excellent agreement with…
We develop a new method to describe electromagnetic observables of open-shell nuclei with two nucleons outside a closed shell. This approach combines the equation-of-motion coupled-cluster method for such systems and the Lorentz integral…
We report a highly accurate \textit{ab initio} study of the ionization potential (IP) and electron affinity (EA) of element 119. Electronic correlation are treated within the relativistic coupled cluster theory including excitations up to…
Dirac coupled channel calculations are performed phenomenologically for the high-lying excited states that belong to the 2$^+$ gamma vibrational band at the 800-MeV polarized proton inelastic scatterings from the s-d shell nuclei, $^{24}$Mg…
The interplay of the relativistic and correlation effects in the permanent electric dipole moments (PDMs) of the X2{\Sigma}+ ({\nu} = 0) electronic ground states of the alkaline earth monoflourides (BeF, MgF, CaF, SrF and BaF) has been…