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B. K. Mani

Publications and source records attributed to B. K. Mani.

29 records · Page 2Linked to original sources

Electric dipole polarizabilities of doubly ionized alkaline Earth metal ions from perturbed relativistic coupled-cluster theory

Using perturbed relativistic coupled-cluster (PRCC) theory we compute the ground state electric dipole polarizability, $α$, of doubly ionized alkaline earth metal ions $\rm{Mg}^{2+}$, $\rm{Ca}^{2+}$, $\rm{Sr}^{2+}$, $\rm{Ba}^{2+}$ and $\rm{Ra}^{2+}$. In the present work we use the Dirac-Coulomb-Breit atomic Hamiltonian and we also include the Uehling potential, which is the leading order term in the vacuum polarization corrections. We examine the correction to the orbital energies arising from the Uehling potential in the self-consistent field calculations as well as perturbatively. Our results of $α$ are in very good agreement with the experimental data, and we observe a change in the nature of the orbital energy corrections arising from the vacuum polarization as we go from $\rm{Mg}^{2+}$ to Ra$^{2+}$.

physics.atom-ph↗

Electric dipole polarizabilities of alkali metal ions from perturbed relativistic coupled-cluster theory

We use the perturbed relativistic coupled-cluster theory to compute the static electric dipole polarizabilities of the singly ionized alkali atoms, namely, Na$^+$, $^+$, Rb$^+$, Cs$^+$ and Fr$^+$. The computations use the Dirac-Coulomb-Breit Hamiltonian with the no-virual-pair approximation and we also estimate the correction to the static electric dipole polarizability arising from the Breit interaction.

physics.atom-ph↗

Nuclear spin-independent and dependent parity non-conservation in $^{171}$Yb$^+$ using perturbed relativistic coupled-cluster theory

We present nuclear spin-independent and dependent parity non-conservation amplitudes for the $[4f^{14}]6s\;^2S_{1/2}-[4f^{14}]5d\;^2D_{3/2}$ transition of $^{171}$Yb$^+$, calculated using perturbed relativistic coupled-cluster theory. As a proxy to estimate theoretical uncertainty of these results we calculate the excitation energies, hyperfine structure constants and E1 transition amplitudes for the important low lying states. The PNC results presented in paper shall be useful in the propose PNC experiments.

physics.atom-ph↗

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 noble gas atoms Ar, Kr, Xe and Rn. We also provide a detailed description of the nonlinear terms in the PRCC theory and consider the Dirac-Coulomb-Breit atomic Hamiltonian for the calculations. We find that the largest contribution from Breit interaction to the electric dipole polarizability is 0.1%, in the case of Rn. As we go from Ar to Rn, based on the pattern in the random phase approximation effects, the contraction of the outermost $p_{1/2}$ due to relativistic corrections is discernible without any ambiguity.

physics.atom-ph↗

Electric dipole polarizability from perturbed Relativistic Coupled-Cluster Theory: application to Neon

We develop a method based on the relativistic coupled-cluster theory to incorporate a perturbative interaction to the no-pair Dirac-Coulomb atomic Hamiltonian. The method is general and suitable to incorporate any perturbation Hamiltonian in a many electron atom or ion. Using this perturbed relativistic coupled-cluster (PRCC) theory we calculate the electric dipole polarizability, $α$, of Neon. The linearized PRCC results are in very good agreement with the experimental value. However, the results of the nonlinear PRCC shows larger uncertainty but it is consistent with the observations from earlier works.

physics.atom-ph↗

Triple excitation in relativistic coupled-cluster theory and properties of one-valence systems Rb and Sr$^+$

We examine the contributions from triple excitation cluster operators in the relativistic coupled-cluster theory in atoms and ions. For this, we propose a tensor representation of the triple cluster operator. Based on this representaion and using diagrammatic analysis, we derive the linearized coupled-cluster equations for single, double and triple excitation cluster operators. The contributions from the triple cluster operators to the hyper fine structure constants of single-valence systems Rb and Sr$^+$ are analysed using the perturbed triples.

physics.atom-ph↗

Relativistic coupled-cluster calculations of nuclear spin-dependent parity non-conservation in Cs, Ba$^+$ and Ra$^+$

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 amplitudes, $E1_{\rm PNC}^{\rm NSD}$, of heavy atoms. Experimental observation of which is a clear signature of nuclear anapole moment, the dominant source of nuclear spin-dependent parity violation in atoms and ions. We apply the theory to calculate $E1_{\rm PNC}^{\rm NSD}$ of Cs, which to date has provided the best atomic parity violation measurements. We also calculate $E1_{\rm PNC}^{\rm NSD}$ of Ba$^+ $ and Ra$^+$, candidates of ongoing and proposed experiments.

physics.atom-ph↗

Relativistic coupled-cluster theory of nuclear spin-dependent parity non-conservation

We have developed a relativistic coupled-cluster theory to incorporate nuclear spin-dependent interaction Hamiltonians perturbatively. In this theory, the coupled-cluster operators in the electronic sector are defined as tensor operators of rank one and we introduce suitable diagrammatic representations. For properties calculations, the electronic part is first calculated and later coupled to the nuclear spin part. The method is ideal to calculate parity violating nuclear spin-dependent electric dipole transition amplitudes, $E1_{\rm PNC}^{\rm NSD}$, of heavy atoms. To validate the proposed method the $E1_{\rm PNC}^{\rm NSD}$ of the transition $6\; ^2S_{1/2} \rightarrow 7\; ^2S_{1/2}$ in $^{133}$Cs is calculated for selected MBPT diagrams and compared with the results from our theory.

physics.atom-ph↗

Fock space relativistic coupled-Cluster calculations of Two-Valence Atoms

We have developed an all particle Fock-space relativistic coupled-cluster method for two-valence atomic systems. We then describe a scheme to employ the coupled-cluster wave function to calculate atomic properties. Based on these developments we calculate the excitation energies, magnetic hyperfine constants and electric dipole matrix elements of Sr, Ba and Yb. Further more, we calculate the electric quadrupole HFS constants and the electric dipole matrix elements of Sr$^+$, Ba$^+$ and Yb$^+$. For these we use the one-valence coupled-cluster wave functions obtained as an intermediate in the two-valence calculations. We also calculate the magnetic dipole hyperfine constants of Yb$^+$.

physics.atom-ph↗

Properties from relativistic coupled-cluster without truncation: hyperfine constants of $^{25}{\rm Mg}^+$, $^{43}{\rm Ca}^+ $, $^{87}{\rm Sr}^+ $ and $^{137}{\rm Ba}^+$

We demonstrate an iterative scheme for coupled-cluster properties calculations without truncating the dressed properties operator. For validation, magnetic dipole hyperfine constants of alkaline Earth ions are calculated with relativistic coupled-cluster and role of electron correlation examined. Then, a detailed analysis of the higher order terms is carried out. Based on the results, we arrive at an optimal form of the dressed operator. Which we recommend for properties calculations with relativistic coupled-cluster theory.

physics.atom-ph↗

Relativistic coupled-cluster calculations of $^{20}$Ne, $^{40}$Ar, $^{84}$Kr and $^{129}$Xe: correlation energies and dipole polarizabilities

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 coupled-cluster calculations, we implement perturbative triples and include these in the correlation energy calculations. We then calculate the dipole polarizability of the ground states using perturbed coupled-cluster theory.

physics.atom-ph↗