5,718 research outputs found
Theoretical determination of lifetimes of metastable states in Sc III and Y III
Lifetimes of the first two metastable states in Sc^{2+} and Y^{2+} are
determined using the relativistic coupled-cluster theory. There is a
considerable interest in studying the electron correlation effects in these
ions as though their electronic configurations are similar to the neutral
alkali atoms, their structures are very different from the latter. We have made
a comparative study of the correlation trends between the above doubly ionized
systems with their corresponding neutral and singly ionized iso-electronic
systems. The lifetimes of the excited states of these ions are very important
in the field of astrophysics, especially for the study of post-main sequence
evolution of the cool giant stars.Comment: 13 pages, 1 figure and 5 table
Relativistic coupled-cluster calculations of Ne, Ar, Kr and 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.Comment: 10 figures, 6 tables, submitted to PR
Chaos and localization in the wavefunctions of complex atoms NdI, PmI and SmI
Wavefunctions of complex lanthanide atoms NdI, PmI and SmI, obtained via
multi-configuration Dirac-Fock method, are analyzed for density of states in
terms of partial densities, strength functions (), number of principal
components () and occupancies (\lan n_\alpha \ran^E) of single
particle orbits using embedded Gaussian orthogonal ensemble of one plus
two-body random matrix ensembles [EGOE(1+2)]. It is seen that density of states
are in general multi-modal, 's exhibit variations as function of the
basis states energy and 's show structures arising from localized
states. The sources of these departures from EGOE(1+2) are investigated by
examining the partial densities, correlations between , and
\lan n_\alpha \ran^E and also by studying the structure of the Hamiltonian
matrices. These studies point out the operation of EGOE(1+2) but at the same
time suggest that weak admixing between well separated configurations should be
incorporated into EGOE(1+2) for more quantitative description of chaos and
localization in NdI, PmI and SmI.Comment: There are 9 figure
Many-body-QED perturbation theory: Connection to the Bethe-Salpeter equation
The connection between many-body theory (MBPT)--in perturbative and
non-perturbative form--and quantum-electrodynamics (QED) is reviewed for
systems of two fermions in an external field. The treatment is mainly based
upon the recently developed covariant-evolution-operator method for QED
calculations [Lindgren et al. Phys. Rep. 389, 161 (2004)], which has a
structure quite akin to that of many-body perturbation theory. At the same time
this procedure is closely connected to the S-matrix and the Green's-function
formalisms and can therefore serve as a bridge between various approaches. It
is demonstrated that the MBPT-QED scheme, when carried to all orders, leads to
a Schroedinger-like equation, equivalent to the Bethe-Salpeter (BS) equation. A
Bloch equation in commutator form that can be used for an "extended" or
quasi-degenerate model space is derived. It has the same relation to the BS
equation as has the standard Bloch equation to the ordinary Schroedinger
equation and can be used to generate a perturbation expansion compatible with
the BS equation also for a quasi-degenerate model space.Comment: Submitted to Canadian J of Physic
Relativistic calculations of the lifetimes and hyperfine structure constants in Zn
This work presents accurate {\it ab initio} determination of the magnetic
dipole (M1) and electric quadrupole (E2) hyperfine structure constants for the
ground and a few low-lying excited states in Zn, which is one of
the interesting systems in fundamental physics. The coupled-cluster (CC) theory
within the relativistic framework has been used here in this calculations. Long
standing demands for a relativistic and highly correlated calculations like CC
can be able to resolve the disagreements among the lifetime estimations
reported previously for a few low-lying states of Zn. The role of
different electron correlation effects in the determination of these quantities
are discussed and their contributions are presented.Comment: 9 pages, 1 figure. submitted to J. Phys. B Fast Trac
Precision determination of electroweak coupling from atomic parity violation and implications for particle physics
We carry out high-precision calculation of parity violation in cesium atom,
reducing theoretical uncertainty by a factor of two compared to previous
evaluations. We combine previous measurements with our calculations and extract
the weak charge of the 133Cs nucleus, Q_W = -73.16(29)_exp(20)_th. The result
is in agreement with the Standard Model (SM) of elementary particles. This is
the most accurate to-date test of the low-energy electroweak sector of the SM.
In combination with the results of high-energy collider experiments, we confirm
the energy-dependence (or "running") of the electroweak force over an energy
range spanning four orders of magnitude (from ~10 MeV to ~100 GeV).
Additionally, our result places constraints on a variety of new physics
scenarios beyond the SM. In particular, we increase the lower limit on the
masses of extra -bosons predicted by models of grand unification and string
theories.Comment: 4 pages/3 figs /1 tabl
Ab initio study of alanine polypeptide chains twisting
We have investigated the potential energy surfaces for alanine chains
consisting of three and six amino acids. For these molecules we have calculated
potential energy surfaces as a function of the Ramachandran angles Phi and Psi,
which are widely used for the characterization of the polypeptide chains. These
particular degrees of freedom are essential for the characterization of
proteins folding process. Calculations have been carried out within ab initio
theoretical framework based on the density functional theory and accounting for
all the electrons in the system. We have determined stable conformations and
calculated the energy barriers for transitions between them. Using a
thermodynamic approach, we have estimated the times of characteristic
transitions between these conformations. The results of our calculations have
been compared with those obtained by other theoretical methods and with the
available experimental data extracted from the Protein Data Base. This
comparison demonstrates a reasonable correspondence of the most prominent
minima on the calculated potential energy surfaces to the experimentally
measured angles Phi and Psi for alanine chains appearing in native proteins. We
have also investigated the influence of the secondary structure of polypeptide
chains on the formation of the potential energy landscape. This analysis has
been performed for the sheet and the helix conformations of chains of six amino
acids.Comment: 24 pages, 10 figure
Search for antiproton decay at the Fermilab Antiproton Accumulator
A search for antiproton decay has been made at the Fermilab Antiproton
Accumulator. Limits are placed on thirteen antiproton decay modes. The results
include the first explicit experimental limits on the muonic decay modes of the
antiproton, and the first limits on the decay modes e- gamma gamma, and e-
omega. The most stringent limit is for the decay mode pbar-> e- gamma. At 90%
C.L. we find that tau/B(pbar-> e- gamma) > 7 x 10^5 yr. The most stringent
limit for decay modes with a muon in the final state is for the decay pbar->
mu- gamma. At 90% C.L. we find that tau/B(pbar-> mu- gamma) > 5 x 10^4 yr.Comment: 20 pages, 8 figures. Submitted to Phys. Rev. D. Final results on 13
channels (was 15) are presente
The electron electric dipole moment enhancement factors of Rubidium and Caesium atoms
The enhancement factors of the electric dipole moment (EDM) of the ground
states of two paramagnetic atoms; rubidium (Rb) and caesium (Cs) which are
sensitive to the electron EDM are computed using the relativistic
coupled-cluster theory and our results are compared with the available
calculations and measurements. The possibility of improving the limit for the
electron EDM using the results of our present work is pointed out.Comment: AISAMP7 Conference paper, Accepted in Journal of Physics: Conference
Series: 200
- …