High accuracy results for the energy levels of the molecular ions H2+, D2+ and HD+, up to J=2

被引:51
|
作者
Karr, JP
Hilico, L
机构
[1] Univ Evry Val Essonne, Dept Phys & Modelisat, F-91025 Evry, France
[2] Univ Paris 06, Lab Kastler Brossel, F-75252 Paris, France
关键词
D O I
10.1088/0953-4075/39/8/024
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We present a nonrelativistic calculation of the rotation-vibration levels of the molecular ions H-2(+), D-2(+) and HD+, relying on the diagonalization of the exact three-body Hamiltonian in a variational basis. The J = 2 levels are obtained with a very high accuracy of 10(-14) au (for most levels) representing an improvement by five orders of magnitude over previous calculations. The accuracy is also improved for the J = I levels of H-2(+) and D-2(+) with respect to earlier works. Moreover, we have computed the sensitivities of the energy levels with respect to the mass ratios, allowing these levels to be used for metrological purposes.
引用
收藏
页码:2095 / 2105
页数:11
相关论文
共 50 条
  • [1] Ab initio calculation of the J=0 and J=1 states of the H2+, D2+ and HD+ molecular ions
    Hilico, L
    Billy, N
    Grémaud, B
    Delande, D
    [J]. EUROPEAN PHYSICAL JOURNAL D, 2000, 12 (03): : 449 - 466
  • [2] Ab initio calculation of the J = 0 and J = 1 states of the H2+, D2+ and HD+ molecular ions
    L. Hilico
    N. Billy
    B. Grémaud
    D. Delande
    [J]. The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics, 2000, 12 : 449 - 466
  • [3] Low-temperature dissociative recombination of electrons with H2+, HD+ and D2+ molecular ions
    Golubkov, MG
    Golubkov, GV
    Ivanov, GK
    [J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1997, 30 (23) : 5511 - 5534
  • [4] NON-ADIABATIC CALCULATIONS FOR H2+,HD+ AND D2+
    BISHOP, DM
    [J]. MOLECULAR PHYSICS, 1974, 28 (06) : 1397 - 1408
  • [5] PROPERTIES OF ADIABATIC ENERGY CURVES FOR GROUND-STATES OF H2+, HD+, AND D2+
    BISHOP, DM
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1974, 51 (03) : 422 - 427
  • [6] BREAKUP OF H2+, HD+, AND D2+ IONS BY SINGLE COLLISIONS WITH HYDROGEN, DEUTERIUM, AND AIR MOLECULES
    KUPRIIANOV, SE
    POTAPOV, VK
    [J]. SOVIET PHYSICS JETP-USSR, 1958, 6 (01): : 244 - 244
  • [7] Bethe logarithm for the H2+ and HD+ molecular ions
    Korobov, Vladimir I.
    Zhong, Zhen-Xiang
    [J]. PHYSICAL REVIEW A, 2012, 86 (04):
  • [8] Shape and strength of dynamical couplings between vibrational levels of the H2+, HD+ and D2+ molecular ions in collision with He as a buffer gas
    Iskandarov, Ibrokhim
    Gianturco, Francesco Antonio
    Vera, Mario Hernandez
    Wester, Roland
    da Silva, Humberto, Jr.
    Dulieu, Olivier
    [J]. EUROPEAN PHYSICAL JOURNAL D, 2017, 71 (06):
  • [9] Shape and strength of dynamical couplings between vibrational levels of the H2+, HD+ and D2+ molecular ions in collision with He as a buffer gas
    Ibrokhim Iskandarov
    Francesco Antonio Gianturco
    Mario Hernandez Vera
    Roland Wester
    Humberto da Silva
    Olivier Dulieu
    [J]. The European Physical Journal D, 2017, 71
  • [10] Static and dynamic polarizability and the Stark and blackbody-radiation frequency shifts of the molecular hydrogen ions H2+, HD+, and D2+
    Schiller, S.
    Bakalov, D.
    Bekbaev, A. K.
    Korobov, V. I.
    [J]. PHYSICAL REVIEW A, 2014, 89 (05):