Large-scale Multiconfiguration Hartree-fock and Configuration-interaction Calculations of Isotope Shifts and Hyperfine Structures In Boron
(1994) In Physical Review A (Atomic, Molecular and Optical Physics) 50(4). p.3080-3088- Abstract
- A new isotope shift program, part of the multiconfiguration Hartree-Fock (MCHF) atomic structure package, has been written and tested. The program calculates the isotope shift of an atomic level from MCHF or configuration-interaction (CI) wave functions. The program is specially designed to be used with very large CI expansions, for which angular data cannot be stored on disk. To explore the capacity of the program, large-scale isotope shift calculations were performed for the 1s(2)2s(2)2p 2P, 1s(2)2s(2)3s2S, and 1s(2)2s2p2 2D levels in boron. From the isotope shifts of these levels the transition isotope shifts were calculated for the two resonance transitions. The calculated transition isotope shifts are in very good agreement with... (More)
- A new isotope shift program, part of the multiconfiguration Hartree-Fock (MCHF) atomic structure package, has been written and tested. The program calculates the isotope shift of an atomic level from MCHF or configuration-interaction (CI) wave functions. The program is specially designed to be used with very large CI expansions, for which angular data cannot be stored on disk. To explore the capacity of the program, large-scale isotope shift calculations were performed for the 1s(2)2s(2)2p 2P, 1s(2)2s(2)3s2S, and 1s(2)2s2p2 2D levels in boron. From the isotope shifts of these levels the transition isotope shifts were calculated for the two resonance transitions. The calculated transition isotope shifts are in very good agreement with experimental shifts. As an additional test of the quality of the CI wave functions, the hyperfine structure was calculated for all levels. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2258551
- author
- Jönsson, Per LU and Fischer, C. F
- organization
- publishing date
- 1994
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review A (Atomic, Molecular and Optical Physics)
- volume
- 50
- issue
- 4
- pages
- 3080 - 3088
- publisher
- American Physical Society
- external identifiers
-
- scopus:0000254924
- ISSN
- 1050-2947
- DOI
- 10.1103/PhysRevA.50.3080
- language
- English
- LU publication?
- yes
- id
- a4672d68-dbaf-479a-92c3-215c1bd32a1b (old id 2258551)
- date added to LUP
- 2016-04-04 07:46:46
- date last changed
- 2021-01-03 09:12:14
@article{a4672d68-dbaf-479a-92c3-215c1bd32a1b,
abstract = {{A new isotope shift program, part of the multiconfiguration Hartree-Fock (MCHF) atomic structure package, has been written and tested. The program calculates the isotope shift of an atomic level from MCHF or configuration-interaction (CI) wave functions. The program is specially designed to be used with very large CI expansions, for which angular data cannot be stored on disk. To explore the capacity of the program, large-scale isotope shift calculations were performed for the 1s(2)2s(2)2p 2P, 1s(2)2s(2)3s2S, and 1s(2)2s2p2 2D levels in boron. From the isotope shifts of these levels the transition isotope shifts were calculated for the two resonance transitions. The calculated transition isotope shifts are in very good agreement with experimental shifts. As an additional test of the quality of the CI wave functions, the hyperfine structure was calculated for all levels.}},
author = {{Jönsson, Per and Fischer, C. F}},
issn = {{1050-2947}},
language = {{eng}},
number = {{4}},
pages = {{3080--3088}},
publisher = {{American Physical Society}},
series = {{Physical Review A (Atomic, Molecular and Optical Physics)}},
title = {{Large-scale Multiconfiguration Hartree-fock and Configuration-interaction Calculations of Isotope Shifts and Hyperfine Structures In Boron}},
url = {{https://lup.lub.lu.se/search/files/5151942/2297329.pdf}},
doi = {{10.1103/PhysRevA.50.3080}},
volume = {{50}},
year = {{1994}},
}