Large multiconfigurational Hartree-Fock calculations on the hyperfine-structure constants of the sup 7 Li 2 s sup 2 S and 2 p sup 2 P states

Journal Article · Tue Sep 01 00:00:00 EDT 1992 · Physical Review A. General Physics; (United States)

DOI:https://doi.org/10.1103/PhysRevA.46.2420· OSTI ID:7173047

Carlsson, J; Joensson, P ^[1]; Froese Fischer, C ^[2]

---

1. Department of Physics, Lund Institute of Technology, P.O. Box 118, S-221 00 Lund (Sweden)
2. Department of Computer Science, Vanderbilt University, Nashville, Tennessee 37235 (United States)

Accurate hyperfine-structure parameters for the ground and first excited states of lithium are reported. Hyperfine parameters are calculated from multiconfiguration Hartree-Fock (MCHF) wave functions using a recently written hyperfine-structure program, being a part of the MCHF Atomic Structure Package. Convergence of the hyperfine-strucure parameters is studied as the active set of orbitals is increased. The relativistic, finite-nuclear-size, and finite-nuclear-mass-corrected values of the magnetic hyperfine-structure constants of the 2{ital s} {sup 2}{ital S}{sub 1/2} and 2{ital p} {sup 2}{ital P}{sub 1/2,3/2} states of {sup 7}Li were determiend to be {ital A}{sub 1/2}=401.70 MHz and {ital A}{sub 1/2}=45.94 MHz, {ital A}{sub 3/2}=3.098 MHz, respectively. The final values are compared with experiments and with the most reliable theoretical values obtained with other methods.

• OSTI ID: 7173047
• Journal Information: Physical Review A. General Physics; (United States), Vol. 46:5; ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
LITHIUM 7
HYPERFINE STRUCTURE
ELECTRONIC STRUCTURE
EXCITED STATES
GROUND STATES
HARTREE-FOCK METHOD
WAVE FUNCTIONS
ALKALI METAL ISOTOPES
ENERGY LEVELS
FUNCTIONS
ISOTOPES
LIGHT NUCLEI
LITHIUM ISOTOPES
NUCLEI
ODD-EVEN NUCLEI
STABLE ISOTOPES
664100* - Theory of Electronic Structure of Atoms & Molecules- (1992-)