Calculations for the vibration-rotation levels of H<sup>+</sup> <sub>2</sub> in its ground and first excited electronic states

Moss, R.E.

doi:10.1080/00268979300103211

Cited by 96 publications

(147 citation statements)

References 21 publications

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“…This pressure shift thus makes a close to negligible contribution to the error budget. 8,24,25 The agreement was in most cases better than the estimated experimental uncertainty of 0.001 cm −1 .…”

Section: Systematic Errors and Uncertaintiesmentioning

confidence: 76%

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

Liu

Sprecher

Jungen

et al. 2010

The Journal of Chemical Physics

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The transition wave numbers from selected rovibrational levels of the EF 1 ⌺ g + ͑v =0͒ state to selected np Rydberg states of ortho-and para-D 2 located below the adiabatic ionization threshold have been measured at a precision better than 10 −3 cm −1 . Adding these wave numbers to the previously determined transition wave numbers from the X 1 ⌺ g + ͑v =0, N =0,1͒ states to thestates of D 2 and to the binding energies of the Rydberg states calculated by multichannel quantum defect theory, the ionization energies of ortho-and para-D 2 are determined to be 124 745.394 07͑58͒ cm −1 and 124 715.003 77͑75͒ cm −1 , respectively. After re-evaluation of the dissociation energy of D 2 + and using the known ionization energy of D, the dissociation energy of D 2 is determined to be 36 748.362 86͑68͒ cm −1 . This result is more precise than previous experimental results by more than one order of magnitude and is in excellent agreement with the most recent theoretical value 36 748.3633͑9͒ cm −1 ͓K. Piszczatowski, G. Łach, M. Przybytek et al., J. Chem. Theory Comput. 5, 3039 ͑2009͔͒. The ortho-para separation of D 2 , i.e., the energy difference between the N = 0 and N = 1 rotational levels of the X 1 ⌺ g + ͑v =0͒ ground state, has been determined to be 59.781 30͑95͒ cm −1 .

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Section: Systematic Errors and Uncertaintiesmentioning

confidence: 76%

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

Liu

Sprecher

Jungen

et al. 2010

The Journal of Chemical Physics

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“…Calculations of bound-state energies for H + 2 and the very closely related system HD + , that include corrections to the Born-Oppenheimer approximation, have been carried out by Beckel et al [28], Wolniewicz and Poll [29], Wolniewicz and Orlikowski [30], Moss [31], Taylor et al [32], Korobov [33], Hilico et al [34] and Frolov [35]. The results of Wolniewicz and Poll's calculations for HD + are compared with experiment by Carrington and Kennedy [36], who also include a detailed discussion of the underlying theory and an extensive list of references to earlier work on HD + .…”

Section: B H +mentioning

confidence: 99%

Stability of few-charge systems in quantum mechanics

2005

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We consider non-relativistic systems in quantum mechanics interacting through the Coulomb potential, and discuss the existence of bound states which are stable against spontaneous dissociation into smaller atoms or ions. We review the studies that have been made of specific mass configurations and also the properties of the domain of stability in the space of masses or inverse masses. These rigorous results are supplemented by numerical investigations using accurate variational methods. A section is devoted to systems of three arbitrary charges and another to molecules in a world with two space-dimensions.

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“…We used the formulae reported by to determine the H 2 + ground state ͑v + =0,N + =0͒ energy relative to the onset of the dissociation continuum, which should result in a slight improvement over the calculations of Moss. 32 In ab initio calculations, the level energies are determined relative to E i ͑H 2 + ͒, the ionization energy of the molecular ion H 2 + . Included in the present reevaluation are the energy corrections comprising relativistic and radiative terms of up to O͑␣ 5 R ϱ ͒ from Refs.…”

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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Calculations for the vibration-rotation levels of H⁺ ₂ in its ground and first excited electronic states

Cited by 96 publications

References 21 publications

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

Stability of few-charge systems in quantum mechanics

Determination of the ionization and dissociation energies of the hydrogen molecule

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Calculations for the vibration-rotation levels of H+ 2 in its ground and first excited electronic states

Cited by 96 publications

References 21 publications

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

Stability of few-charge systems in quantum mechanics

Determination of the ionization and dissociation energies of the hydrogen molecule

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Product

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Calculations for the vibration-rotation levels of H⁺ ₂ in its ground and first excited electronic states