Calculations of energies of the hydrogen molecular ion

Li, Hua; Wu, Jun; Zhou, Bing-Lu; Zhu, Jian; Zhou, Yan

doi:10.1103/physreva.75.012504

Cited by 60 publications

(58 citation statements)

References 24 publications

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“…In the nonrelativistic approximation, the level energies have been calculated to precisions of up to 10 −30 E h . 31 Despite its apparent simplicity, the three-body system represents a formidable problem, which poses particular difficulties in accounting for relativistic and radiative corrections to the level energies. The dissociation energy D 0 ͑H 2 + ͒ is defined relative to the hyperfineless ground state ͑v + =0,N + =0͒ of H 2 + .…”

Section: The Dissociation Energy Of Hmentioning

confidence: 99%

Determination of the ionization and dissociation energies of the hydrogen molecule

Liu

Salumbides²,

Hollenstein³

et al. 2009

The Journal of Chemical Physics

186

193

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The transition wave number from the EF 1 ⌺ g + ͑v =0,N =1͒ energy level of ortho-H 2 to the 54p1 1 ͑0͒ Rydberg state below the X + 2 ⌺ g + ͑v + =0,N + =1͒ ground state of ortho-H 2 + has been measured to be 25 209.997 56Ϯ ͑0.000 22͒ statistical Ϯ ͑0.000 07͒ systematic cm −1 . Combining this result with previous experimental and theoretical results for other energy level intervals, the ionization and dissociation energies of the hydrogen molecule have been determined to be 124 417.491 13͑37͒ and 36 118.069 62͑37͒ cm −1 , respectively, which represents a precision improvement over previous experimental and theoretical results by more than one order of magnitude. The new value of the ionization energy can be regarded as the most precise and accurate experimental result of this quantity, whereas the dissociation energy is a hybrid experimental-theoretical determination.

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Section: The Dissociation Energy Of Hmentioning

confidence: 99%

Determination of the ionization and dissociation energies of the hydrogen molecule

Liu

Salumbides²,

Hollenstein³

et al. 2009

The Journal of Chemical Physics

186

193

View full text Add to dashboard Cite

show abstract

“…Nonrelativistic energies are obtained with up to 30-digit numerical precision for the low-lying vibrational states [49] using a direct variational approach. Relativistic and QED corrections are also calculated using the NRQED framework similarly expressed as Eq.…”

Section: And Hdmentioning

confidence: 99%

Bounds on fifth forces from precision measurements on molecules

et al. 2013

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Highly accurate results from frequency measurements on neutral hydrogen molecules H2, HD and D2 as well as the HD + ion can be interpreted in terms of constraints on possible fifth-force interactions. Where the hydrogen atom is a probe for yet unknown lepton-hadron interactions, and the helium atom is sensitive for lepton-lepton interactions, molecules open the domain to search for additional long-range hadron-hadron forces. First principles calculations in the framework of quantum electrodynamics have now advanced to the level that hydrogen molecules and hydrogen molecular ions have become calculable systems, making them a search-ground for fifth forces. Following a phenomenological treatment of unknown hadron-hadron interactions written in terms of a Yukawa potential of the form V5(r) = β exp(−r/λ)/r current precision measurements on hydrogenic molecules yield a constraint β < 1 × 10 −7 eV·Å for long-range hadron-hadron interactions at typical force ranges commensurate with separations of a chemical bond, i.e. λ ≈ 1Å and beyond.

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“…The nonrelativistic part is calculated through solving the threebody Schrödinger equation, which can be done with practically infinite precision [13] (up to a relative precision of ~10 −32 [14,15]). The resulting wavefunctions allow an analytical evaluation of the Breit-Pauli Hamiltonian and the leading-order radiative corrections.…”

Section: Calculation Of Ro-vibrational Frequency Transitions In Hd +mentioning

confidence: 99%