Published October 2011 | Version v1
Journal article

Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic 33S- and 35,37Cl

  • 1. Department of Physics, Maulana Azad College, 8 Rafi Ahmed Kidwai Road, Calcutta 700013 (India)
  • 2. Department of Chemistry, Bengal Engineering and Science University, Shibpur, Howrah 711103 (India)
  • 3. Indian Institute of Astrophysics, Bangalore 560034 (India)

Description

Due to its flexibility and possible systematic improvement, the Fock-space (FS) multireference coupled-cluster (MRCC) method remains a very important tool for the computation of energy differences of spectroscopic interest. In the present work, the FS MRCC method for the electron detachment process has been applied to determine the magnetic hyperfine constant AJ and nuclear quadrupole moments Q (related to electric hyperfine constant BJ) for the lowest multiplets of 33S-, 35Cl, and 37Cl with Dirac-Fock orbitals. In addition, we also report 2P3/2([Ne]3s23p5) → 2P1/2([Ne]3s23p5) magnetic dipole transition matrix element and electron affinity of 35Cl (i.e., ionization energy of Cl-). Calculated properties are in very good agreement with the available new standard or reference values.

Additional details

Identifiers

Publishing Information

Journal Title
Physical Review. A
Journal Volume
84
Journal Issue
4
Journal Page Range
p. 042512-042512.7
ISSN
1050-2947
CODEN
PLRAAN

Optional Information

Notes
(c) 2011 American Institute of Physics