Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic 33S- and 35,37Cl
Creators
- 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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 44053486
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CHLORINE 35; CHLORINE 37; CHLORINE IONS; DIRAC EQUATION; ELECTRON DETACHMENT; HARTREE-FOCK METHOD; HYPERFINE STRUCTURE; IONIZATION; M1-TRANSITIONS; MATRIX ELEMENTS; QUADRUPOLE MOMENTS; SULFUR 33
- Descriptors DEC
- APPROXIMATIONS; CALCULATION METHODS; CHARGED PARTICLES; CHLORINE ISOTOPES; DIFFERENTIAL EQUATIONS; ENERGY-LEVEL TRANSITIONS; EQUATIONS; EVEN-ODD NUCLEI; FIELD EQUATIONS; IONS; ISOTOPES; LIGHT NUCLEI; MULTIPOLE TRANSITIONS; NUCLEI; ODD-EVEN NUCLEI; PARTIAL DIFFERENTIAL EQUATIONS; STABLE ISOTOPES; SULFUR ISOTOPES; WAVE EQUATIONS
Optional Information
- Notes
- (c) 2011 American Institute of Physics