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ris3: A program for relativistic isotope shift calculations

C. Nazé, E. Gaidamauskas, G. Gaigalas, M. Godefroid, P. Jönsson
2013 Computer Physics Communications  
All the angular coefficients are calculated using routines from grasp2K version 1 1 package [1].  ...  Restrictions: The complexity of the cases that can be handled is entirely determined by grasp2K package [1] used for the generation of the electronic wave functions.  ...  This work was supported by the Communauté française of Belgium (Action de Recherche Concertée), the Belgian National Fund for Scientific Research (FRFC/IISN Convention) and by the IUAP -Belgian State Science  ... 
doi:10.1016/j.cpc.2013.02.015 fatcat:r25fqwrdpzh35e7wtckunufkje

New version: Grasp2K relativistic atomic structure package

P. Jönsson, G. Gaigalas, J. Bieroń, C. Froese Fischer, I.P. Grant
2013 Computer Physics Communications  
Commun. 50 (1988) 375] has been replaced by the librang angular package developed by G.  ...  Commun. 176 (2007) 559], that identifies each atomic state by the total energy and a label for the CSF with the largest expansion coefficient in LSJ intermediate coupling. All versions of  ...  JB acknowledges support by the Polish Ministry of Science and Higher Education (MNiSW) in the framework of the project No.  ... 
doi:10.1016/j.cpc.2013.02.016 fatcat:2ksvji2wejevtfx6dj2ubwt34u

Lifetimes and oscillator strengths for ultraviolet transitions in singly-ionized tin

N Heidarian, R E Irving, S R Federman, D G Ellis, S Cheng, L J Curtis
2016 Journal of Physics B: Atomic, Molecular and Optical Physics  
We also studied these levels with multi-configuration Dirac Hartree-Fock (MCDHF) calculations using a development version of the GRASP2K package.  ...  The resulting oscillator strengths for transitions at 1699.4, 1831.8 and 1811.2 Å are reported.  ...  Acknowledgments This work was supported in part by grant HST-AR-12123.001-A from the Space Telescope Science Institute. We thank the anonymous referees for helpful comments that improved the paper.  ... 
doi:10.1088/0953-4075/49/21/215002 fatcat:7ajwwsk46rfypk7surn53ztf4e

The α-dependence of transition frequencies

Andrius Alkauskas, Jacek Bieroń, Gediminas Gaigalas
2014 Journal of Physics, Conference Series  
Synopsis Using multiconfiguration Dirac-Hartree-Fock (MCDHF) method we calculated the dependence of the transition frequencies on fine-structure constant α.  ...  The energies and relativistic energy shifts are compared with results from Dzuba et al [1], Berengut et al [2] and King et al [3].  ...  In Table 1 we present the atomic energy levels which are calculated using GRASP2K program package [4] .  ... 
doi:10.1088/1742-6596/488/15/152003 fatcat:ostyglm7orgkfditigqshlhuwq

Breit and QED contributions in atomic structure calculations of tungsten ions [article]

Karol Kozioł
2019 arXiv   pre-print
Various approaches to including the Breit interaction term and QED corrections in atomic calculations are examined.  ...  The FAC, GRASP2K, and MCDFGME codes are compared in three case study of radiative transitions occurring in tungsten ions: (i) Ni1 and Ni2 lines in Ni-like tungsten, (ii) 3p_3/2-3p_1/2 fine splitting in  ...  The Grasp (General-Purpose Relativistic Atomic Structure Program) code was developed by the Grant group at University of Oxford and recently improved by Froese Fischer, Jönsson, and collaborators in order  ... 
arXiv:1907.07403v2 fatcat:zfbnrzazizcvpc5s2o7vmqmbli

Hyperfine induced ${\sf 1 s}{\sf 2 s}\ ^{\sf 1}$ S $_{\sf 0} \rightarrow {\sf 1 s}^{\sf 2}\ ^{\sf 1}$ S0 M1 transition of He-like ions

J. G. Li, P. Jönsson, G. Gaigalas, C. Z. Dong
2009 European Physical Journal D : Atomic, Molecular and Optical Physics  
Hyperfine induced 1s2s ^1S_0 → 1s^2 ^1S_0 M1 transition probabilities of He-like ions have been calculated from relativistic configuration interaction wavefunctions including the frequency independent  ...  The results should be helpful for future experimental investigations on QED and parity non-conservation effects.  ...  The hyperfine structure of atomic levels is caused by the interaction between the electrons and the non-central electromagnetic multipoles of the nucleus.  ... 
doi:10.1140/epjd/e2008-00276-x fatcat:3uvehpbuxbdi5ozulhn67favca

Auger yield calculations for medical radioisotopes

Boon Q. Lee, Tibor Kibédi, Andrew E. Stuchbery, C. Simenel, M. Fröhlich, B.Q. Lee, D. Schauries
2015 EPJ Web of Conferences  
Nuclear structure data is extracted from the Evaluated Nuclear Structure Data File (ENSDF) [29].  ...  A new approach is required, which should use theoretical transition energies and rates suited for the multiply ionized atoms.  ...  Ekman of Malmö University for helping with the use of grasp2k and ratip.  ... 
doi:10.1051/epjconf/20159100007 fatcat:4wxvje3gmrfozl4xqbzr5p3tgq

Measurement of the Kr xviii3d2D5/2lifetime at low energy in a unitary Penning trap

Nicholas D. Guise, Joseph N. Tan, Samuel M. Brewer, Charlotte F. Fischer, Per Jönsson
2014 Physical Review A. Atomic, Molecular, and Optical Physics  
Remarkably, various theoretical predictions for this relativistic Rydberg atom are in agreement with our measurement at the 1  ...  The highly ionized atoms are trapped in the fine structure of the electronic ground configuration with an energy spread of 4(1) eV, which is narrower than within the ion source by a factor of about 100  ...  The work of N.D.G. was supported in part by a National Research Council Research Associateship Award at NIST. We thank P. J. Mohr, J. Sapirstein, and Yu. Ralchenko for stimulating discussions.  ... 
doi:10.1103/physreva.89.040502 fatcat:ydhchzf63bd7pl5r6jliasyg5y

Ab initiomulti-configuration Dirac–Fock calculation of M1 visible transitions among the ground state multiplets of the W26 +ion

Xiao-Bin Ding, Fumihiro Koike, Izumi Murakami, Daiji Kato, Hiroyuki A Sakaue, Chen-Zhong Dong, Nobuyuki Nakamura, Akihiro Komatsu, Junpei Sakoda
2011 Journal of Physics B: Atomic, Molecular and Optical Physics  
The present calculation was performed in the framework of the multi-configuration Dirac-Fock (MCDF) method with the implementation of GRASP2K 1) and RATIP packages.  ...  To investigate the correlation contributions, two strategies of calculation for the structure of the ground state of W 26+ are implemented.  ...  The present calculation was performed in the framework of the multi-configuration Dirac-Fock (MCDF) method with the implementation of GRASP2K 1) and RATIP packages.  ... 
doi:10.1088/0953-4075/44/14/145004 fatcat:luxkoxqe6zdf7kbcwu6npuwtru

Relativistic semiempirical-core-potential calculations in Ca+,Sr+ , and Ba+ ions on Lagrange meshes

Livio Filippin, Sacha Schiffmann, Jérémy Dohet-Eraly, Daniel Baye, Michel Godefroid
2018 Physical Review A  
Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach.  ...  The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals are defined by a Dirac-Hartree-Fock calculation using the grasp2k package.  ...  The DHF program used in this work is implemented in the grasp2k package [50, 51] . B.  ... 
doi:10.1103/physreva.97.012506 fatcat:nemquigftrfffdrwftvz44as5q

Theoretical investigation of energy levels and transition data for P II

P. Rynkun, L. Radžiūtė, G. Gaigalas, P. Jönsson
2019 Astronomy and Astrophysics  
The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods, which are implemented in the general-purpose relativistic atomic structure package GRASP2K, were  ...  The computed lifetimes for the 3s 2 3p4s 3 P o states are within the error bars of the most current experimental values.  ...  S-LJB-18-1) from the Research Council of Lithuania.  ... 
doi:10.1051/0004-6361/201834696 fatcat:wvzl6nrxnveqzldm2fn7fswuqu

Deep core photoionization of iodine in CH3I and CF3I molecules: how deep down does chemical shift reach?

Nacer Boudjemia, Kari Jankala, Tatsuo Gejo, Kiyonobu Nagaya, Kenji TAMASAKU, Marko Huttula, Maria Novella Piancastelli, Marc Simon, Masaki Oura
2019 Physical Chemistry, Chemical Physics - PCCP  
The experiment was carried out at the SPring-8 synchrotron radiation...  ...  The authors are grateful to the members of the Engineering Team of the RIKEN SPring-8 Center for their technical assistance.  ...  We would like to thank TOSO F-TECH, Inc, for providing CF 3 I samples, and we are grateful for the financial support by the European Union's Horizon 2020 research and innovation programme under the Marie  ... 
doi:10.1039/c8cp07307d fatcat:vq5mf2wpovgjbfhken6iykhfdq

Bound-state double-β decay [article]

A. Babič, D. Štefánik, M. I. Krivoruchenko, F. Šimkovic
2018 arXiv   pre-print
of atoms provided by the multiconfiguration Dirac-Hartree-Fock package GRASP2K.  ...  We calculate the corresponding phase-space factors of the final states, estimate the partial decay rates, and derive the one- and two-electron energy spectra using relativistic many-electron wave functions  ...  ACKNOWLEDGMENTS The authors are grateful to R. Dvornický for useful discussions of techniques adopted in the atomic-structure calculations. Special thanks go to the participants of the  ... 
arXiv:1805.07815v1 fatcat:xxbaqztrbfghnn6d56mv5oxbui

Hyperfine quenching of the 3s3p3P0level in Mg-like ions

Huihui Kang, Jiguang Li, Chenzhong Dong, Per Jönsson, Gediminas Gaigalas
2009 Journal of Physics B: Atomic, Molecular and Optical Physics  
Hyperfine quenching rates of the 3s3p 3 P 0 level in Mg-like ions were calculated using the GRASP2K package based on the multi-configuration Dirac-Hartree-Fock method.  ...  Breit interactions and QED effects were included in the subsequent relativistic CI calculations.  ...  This work was supported by the National Nature  ... 
doi:10.1088/0953-4075/42/19/195002 fatcat:6wbks7nv6fhcrmsjaslnve34pm

Convergence of the Breit interaction in self-consistent and configuration-interaction approaches

C. T. Chantler, T. V. B. Nguyen, J. A. Lowe, I. P. Grant
2014 Physical Review A. Atomic, Molecular, and Optical Physics  
Much discussion in relativistic atomic physics and quantum optics has related to the interaction of gauge and perturbation of the Hamiltonian or Dirac operator.  ...  We find that convergence is now possible to a remarkable degree including a Breit interaction operator in a form consistent with the gauge for length and velocity relativistic forms of the multipole operator  ...  ACKNOWLEDGMENTS The authors acknowledge H. M. Quiney and L. C. L. Hollenberg for bringing to our attention the general lack of understanding of these issues.  ... 
doi:10.1103/physreva.90.062504 fatcat:n2ik2zvdxbhsng6xhal42itnca
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