Hylleraas-Configuration Interaction (Hy-CI) Non-Relativistic Energies for the 3 1S, 4 1S, 5 1S, 6 1S and 7 1S Excited States of the Beryllium Atom

被引：3
|
作者：
Sims, James S. [1 ]
机构：
[1] NIST, Gaithersburg, MD 20899 USA
来源：
JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY | 2020年 / 125卷
关键词：
beryllium atom excited states; Hylleraas-CI; Hy-CI; non-relativistic energies; WAVE-FUNCTION; GROUND-STATE; TERMS;
D O I：
10.6028/jres.125.006
中图分类号：
TH7 [仪器、仪表];
学科分类号：
0804 ; 080401 ; 081102 ;
摘要：
In a previous work Sims and Hagstrom [J Chem Phys 140,224312(2014)] reported Hylleraas-configuration interaction (Hy-CI) method variational calculations for the S-1 ground states of the beryllium isoelectronic sequence with an estimated accuracy of 10 to 20 nanohartrees (nHa). In this work the calculations have been extended to the five higher states of the neutral beryllium atom, 3 S-1, 4 S-1, 5 S-1, 6 S-1 and 7 S-1. The best non-relativistic energies obtained for these states are -14.4182 4034 6, -14.3700 8789 0, -14.3515 1167 6, -14.3424 0357 8, and -14.3372 6649 96 Ha, respectively. The 6 S-1 result is superior to the known reference energy for that state, while for the 7 S-1 state there is no other comparable calculation.
引用
收藏
页数：29
相关论文
共 50 条
  • [21] Υ(1s) → γ(η′,η) decays
    Li, Bing An
    PHYSICAL REVIEW D, 2008, 77 (09):
  • [22] (1S)-(-)-α-Pinene
    Bond, AD
    Davies, JE
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2001, 57 : O1039 - O1040
  • [23] Hylleraas-configuration-interaction study of the 1S ground state of neutral beryllium
    Sims, James S.
    Hagstrom, Stanley A.
    PHYSICAL REVIEW A, 2011, 83 (03)
  • [24] Polarizability pseudospectra and dispersion coefficients for H(1s)-H(1s)
    Magnasco, V
    Ottonelli, M
    Figari, G
    Rui, M
    Costa, C
    MOLECULAR PHYSICS, 1998, 94 (06) : 905 - 908
  • [25] A theoretical study of the 1B1(O 1s→π*) and 1A1(O 1s→3s) excited states of formaldehyde
    Trofimov, AB
    Gromov, EV
    Köppel, H
    Schirmer, J
    Prince, KC
    Richter, R
    De Simone, M
    Coreno, M
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2003, 36 (18) : 3805 - 3816
  • [26] The ρ(1S, 2S), ψ(1S, 2S), Iyen(1S, 2S) and ψ t (1S, 2S) Mesons in a Double Pole QCD Sum Rule
    Maior de Sousa, M. S.
    Rodrigues da Silva, R.
    BRAZILIAN JOURNAL OF PHYSICS, 2016, 46 (06) : 730 - 739
  • [27] Vibrational excitation in C 1s and O 1s photoionization of CO
    Kempgens, B
    Maier, K
    Kivimaki, A
    Koppe, HM
    Neeb, M
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1997, 30 (21) : L741 - L747
  • [28] Theoretical spectroscopy of O 1s and N 1s excited states of N2O
    Ehara, M.
    Horikawa, T.
    Fukuda, R.
    Nakatsuji, H.
    Tanaka, T.
    Hoshino, M.
    Tanaka, H.
    Ueda, K.
    INTERNATIONAL CONFERENCE ON MANY PARTICLE SPECTROSCOPY OF ATOMS, MOLECULES, CLUSTERS AND SURFACES, 2011, 288
  • [29] First observations of Y(1S)→γπ+π- and Y(1S)→γπ0π0
    Anastassov, A
    Duboscq, JE
    Gan, KK
    Hart, T
    Honscheid, K
    Kagan, H
    Kass, R
    Lee, J
    Schwarthoff, H
    Wolf, A
    Zoeller, MM
    Richichi, SJ
    Severini, H
    Skubic, P
    Undrus, A
    Bishai, M
    Chen, S
    Fast, J
    Hinson, JW
    Menon, N
    Miller, DH
    Shibata, EI
    Shipsey, IPJ
    Glenn, S
    Kwon, Y
    Lyon, AL
    Roberts, S
    Thorndike, EH
    Jessop, CP
    Lingel, K
    Marsiske, H
    Perl, ML
    Savinov, V
    Ugolini, D
    Zhou, X
    Coan, TE
    Fadeyev, V
    Korolkov, I
    Maravin, Y
    Narsky, I
    Stroynowski, R
    Ye, J
    Wlodek, T
    Artuso, M
    Dambasuren, E
    Kopp, S
    Moneti, GC
    Mountain, R
    Schuh, S
    Skwarnicki, T
    PHYSICAL REVIEW LETTERS, 1999, 82 (02) : 286 - 290
  • [30] Measurement of the ηb(1S) mass and the branching fraction for Γ(3S) → γηb(1S)
    Bonvicini, G.
    Cinabro, D.
    Lincoln, A.
    Smith, M. J.
    Zhou, P.
    Zhu, J.
    Naik, P.
    Rademacker, J.
    Asner, D. M.
    Edwards, K. W.
    Reed, J.
    Robichaud, A. N.
    Tatishvili, G.
    White, E. J.
    Briere, R. A.
    Vogel, H.
    Onyisi, P. U. E.
    Rosner, J. L.
    Alexander, J. P.
    Cassel, D. G.
    Ehrlich, R.
    Fields, L.
    Galik, R. S.
    Gibbons, L.
    Gray, S. W.
    Hartill, D. L.
    Heltsley, B. K.
    Hunt, J. M.
    Kreinick, D. L.
    Kuznetsov, V. E.
    Ledoux, J.
    Mahlke-Krueger, H.
    Patterson, J. R.
    Peterson, D.
    Riley, D.
    Ryd, A.
    Sadoff, A. J.
    Shi, X.
    Stroiney, S.
    Sun, W. M.
    Yelton, J.
    Rubin, P.
    Lowrey, N.
    Mehrabyan, S.
    Selen, M.
    Wiss, J.
    Kornicer, M.
    Mitchell, R. E.
    Shepherd, M. R.
    Tarbert, C. M.
    PHYSICAL REVIEW D, 2010, 81 (03):
12345