Doublet-quartet energy separation in boron: A partitioned-correlation-function-interaction method

被引:17
作者
Fischer, Charlotte Froese [1 ]
Verdebout, Simon [2 ]
Godefroid, Michel [2 ]
Rynkun, Pavel [3 ]
Jonsson, Per [4 ]
Gaigalas, Gediminas [5 ]
机构
[1] NIST, Gaithersburg, MD 20899 USA
[2] Univ Libre Bruxelles, B-1050 Brussels, Belgium
[3] Lithuanian Univ Educ Sci, LT-08106 Vilnius, Lithuania
[4] Malmo Univ, Sch Technol, S-20506 Malmo, Sweden
[5] Vilnius Univ, Inst Theoret Phys & Astron, LT-01108 Vilnius, Lithuania
关键词
CONFIGURATION-INTERACTION; ATOMIC PROPERTIES; FORBIDDEN; STATES; LINES;
D O I
10.1103/PhysRevA.88.062506
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
No lines have been observed for transitions between the doublet and quartet levels of B I. Consequently, energy levels based on observation for the latter are obtained through extrapolation of wavelengths along the isoelectronic sequence for the 2s(2)2p P-2(3/2)o - 2s2p(2) P-4(5/2) transition. In this paper, accurate theoretical excitation energies from a partitioned-correlation-function-interaction (PCFI) method are reported for B I that include both relativistic effects in the Breit-Pauli approximation and a finite mass correction. Results are compared with extrapolated values from observed data. For B I our estimate of the excitation energy 28 959 +/- 5 cm(-1) is in better agreement with the values obtained by Edlen et al. (1969) than those reported by Kramida and Ryabtsev (2007). Our method is validated by applying the same procedure to the separation of these levels in C II.
引用
收藏
页数:6
相关论文
共 20 条
[1]   Nonrelativistic CI Calculations for B+, B, and B- Ground States [J].
Almora-Diaz, Cesar X. ;
Bunge, Carlos F. .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2010, 110 (15) :2982-2988
[2]  
[Anonymous], 2012, NIST ATOMIC SPECTRA
[3]  
Brage T, 1997, COMPUTATIONAL ATOMIC
[4]   Correlated-Gaussian calculations of the ground and low-lying excited states of the boron atom [J].
Bubin, Sergiy ;
Adamowicz, Ludwik .
PHYSICAL REVIEW A, 2011, 83 (02)
[5]   GROUND-STATE CORRELATION ENERGIES FOR 2-ELECTRON TO 10-ELECTRON ATOMIC IONS [J].
DAVIDSON, ER ;
HAGSTROM, SA ;
CHAKRAVORTY, SJ ;
UMAR, VM ;
FISCHER, CF .
PHYSICAL REVIEW A, 1991, 44 (11) :7071-7083
[6]   SPIN-FORBIDDEN RESONANCE MULTIPLETS IN LIGHT ELEMENTS [J].
EDLEN, B ;
PALENIUS, HP ;
BOCKASTEN, K ;
HALLIN, R ;
BROMANDER, J .
SOLAR PHYSICS, 1969, 9 (02) :432-+
[7]   An MCHF atomic-structure package for large-scale calculations [J].
Fischer, Charlotte Froese ;
Tachiev, Georgio ;
Gaigalas, Gediminas ;
Godefroid, Michel R. .
COMPUTER PHYSICS COMMUNICATIONS, 2007, 176 (08) :559-579
[8]   Non-relativistic variational calculations of atomic properties in Li-like ions:: Li I to O VI [J].
Godefroid, M ;
Fischer, CF ;
Jönsson, P .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2001, 34 (06) :1079-1104
[9]   Energies of 1s221q (1≤q≤8) states for Z≤60 with a combined configuration interaction and many-body perturbation theory approach [J].
Gu, MF .
ATOMIC DATA AND NUCLEAR DATA TABLES, 2005, 89 (02) :267-293
[10]   LARGE-SCALE MULTICONFIGURATION HARTREE-FOCK AND CONFIGURATION-INTERACTION CALCULATIONS OF ISOTOPE SHIFTS AND HYPERFINE STRUCTURES IN BORON [J].
JONSSON, P ;
FISCHER, CF .
PHYSICAL REVIEW A, 1994, 50 (04) :3080-3088