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We generalize a recently developed method for accelerated Monte Carlo calculation of path integrals to the physically relevant case of generic many-body systems. This is done by developing an analytic procedure for constructing a hierarchy…

Statistical Mechanics · Physics 2011-08-08 Aleksandar Bogojevic , Ivana Vidanovic , Antun Balaz , Aleksandar Belic

Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…

Atomic Physics · Physics 2018-03-14 Cheng-Bin Li , Yan-Mei Yu , B. K. Sahoo

We present a general approach within the relativistic coupled-cluster theory framework to calculate exactly the first order wave functions due to any rank perturbation operators. Using this method, we calculate the static dipole and…

Atomic Physics · Physics 2009-11-13 B. K. Sahoo

This work presents accurate ab initio determination of the hyperfine splitting for the ground state and few low-lying excited states of 113Cd+; important candidates for the frequency standard in the microwave region, using coupled-cluster…

Atomic Physics · Physics 2009-11-13 Gopal Dixit , H. S. Nataraj , B. K. Sahoo , R. K. Chaudhuri , Sonjoy Majumder

The low-lying n(=3,4,5)d $^2D_{5/2}$ states alkaline earth ions are of vital importance in a number of different physical applications. The hyperfine structure constants of these states are characterized by unusually strong electron…

Atomic Physics · Physics 2015-06-26 B. K. Sahoo , C. Sur , T. Beier , B. P. Das , R. K. Chaudhuri , D. Mukherjee

This work presents precise calculations of important electromagnetic transition amplitudes along with detail of their many-body correlations using relativistic coupled cluster method. Studies of hyperfine interaction constants, useful for…

Atomic Physics · Physics 2017-08-30 Anal Bhowmik , Sourav Roy , Narendra Nath Dutta , Sonjoy Majumder

A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations…

Atomic Physics · Physics 2009-11-11 U. I. Safronova , A. S. Safronova , P. Beiersdorfer

Fourth-order many-body corrections to matrix elements for atoms with one valence electron are derived. The obtained diagrams are classified using coupled-cluster-inspired separation into contributions from n-particle excitations from the…

Atomic Physics · Physics 2009-11-07 Andrei Derevianko , Erik D. Emmons

We report successful implementation of the time-dependent second-order many-body perturbation theory using optimized orthonormal orbital functions called time-dependent optimized second-order many-body perturbation theory [TD-OMP2] to reach…

Chemical Physics · Physics 2020-08-26 Himadri Pathak , Takeshi Sato , Kenichi L. Ishikawa

A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order M{\o}ller-Plesset partitioning of the Hamiltonian is used to obtain the well known…

Chemical Physics · Physics 2015-07-09 Jason N. Byrd , Varun Rishi , Ajith Perera , Rodney J. Bartlett

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the…

Chemical Physics · Physics 2018-03-14 Dmitry I. Lyakh

Using many-body perturbation theory and coupled-cluster theory, we calculate the ground-state energy of He-4 and O-16. We perform these calculations using a no-core G-matrix interaction derived from a realistic nucleon-nucleon potential.…

Nuclear Theory · Physics 2009-11-10 D. J. Dean , M. Hjorth-Jensen

Rates and line strengths are calculated for the 2s22p53l3l' - 2s22p63l'' and 2s2p63l3l' - 2s22p63l'' electric-dipole (E1) transitions in Na-like ions with nuclear charges ranging from Z = 14 to 100. Relativistic many-body perturbation…

Atomic Physics · Physics 2009-11-07 U. I. Safronova , W. R. Johnson , M. S. Safronova , J. R. Albritton

We employ the closed-shell perturbed relativistic coupled-cluster (RCC) theory developed by us earlier [Phys. Rev. A {\bf 77}, 062516 (2008)] to evaluate the ground state static electric dipole polarizabilities (\alpha s) of several atomic…

Atomic Physics · Physics 2013-12-09 Yashpal Singh , B. K. Sahoo , B. P. Das

Energies of 5l_j (l= s, p, d, f, g) and 4f_j states in neutral Ag and Ag-like ions with nuclear charges Z = 48 - 100 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition…

Atomic Physics · Physics 2009-11-10 U. I. Safronova , I. M. Savukov , M. S. Safronova , W. R. Johnson

Removal energies and hyperfine constants of the lowest four $ns, np_{1/2}$ and $np_{3/2}$ states in Na, K, Rb and Cs are calculated; removal energies of the n=7--10 states and hyperfine constants of the n=7 and 8 states in Fr are also…

Atomic Physics · Physics 2009-10-31 M. S. Safronova , W. R. Johnson , A. Derevianko

The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…

Strongly Correlated Electrons · Physics 2009-11-11 D. J. J. Farnell , J. Schulenburg , J. Richter , K. A. Gernoth

Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock…

Atomic Physics · Physics 2009-11-10 U. I. Safronova , W. R. Johnson , A. Shlyaptseva , S. Hamasha

We use all-order relativistic many-body perturbation theory to study 5s^2 nl configurations of In I and Sn II. Energies, E1-amplitudes, and hyperfine constants are calculated using all-order method, which accounts for single and double…

Atomic Physics · Physics 2015-05-13 U. I. Safronova , M. S. Safronova , M. G. Kozlov

We investigate roles of electron correlation effects in the determination of the $g_j$ factors of the $4s ~ ^2S_{1/2}$, $4p ~ ^2P_{1/2}$, $4p ~ ^2P_{3/2}$, $3d ~ ^2D_{3/2}$, and $3d ~ ^2D_{5/2}$ states, representing to different parities…

Atomic Physics · Physics 2017-07-26 B. K. Sahoo , Pradeep Kumar