On the Dissociation Energy of AsP Molecule

Rajamanickam, N.; Prahllad, U. D.; Narasimhamurthy, B.

doi:10.1080/00387018208068011

Cited by 16 publications

(8 citation statements)

References 12 publications

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“…To conveniently compare with the present ones, we also tabulate them in Table III. As a whole, the present results are in good accordance with the references [4]. For example, compared with the references [4], the largest deviation of the G(t) do not exceed 0.11%, and the largest deviation of the classical turning points from the references [4] is also within 1.06%.…”

Section: Table VIsupporting

confidence: 91%

“…According to the discussion above, one can see that the spectroscopic parameters, R e , x e , B e , a e , and x e v e , agree well with the experiments [2,4]. These show that the present APEF of AsP(X 1 R þ ) molecule are credible and can be used to carry out the vibration manifold calculations.…”

Section: Spectroscopic Constantssupporting

confidence: 83%

“…Only one group of references [4] has reported the vibration levels and classical turning points of AsP (X 1 R þ ) molecule so far. To conveniently compare with the present ones, we also tabulate them in Table III.…”

Section: Table VImentioning

confidence: 99%

“…(1) by means of the least-squares method. We try it from n ¼3 to n ¼ 8, the best results can be made at n ¼ 3, when the spectroscopic constants are the closest to experimental data [4].…”

Section: Analytical Potential Energy Functionmentioning

confidence: 99%

“…Later, in 1974, Gingerch et al [3] studied the dissociation energy of this molecule by the mass spectrometric technique. In 1982, Rajamanickam et al [4] constructed the potential energy curve (PEC) by RKR method. By curve fitting of the modified form of Lippincott's three-parameter empirical potential function, the dissociation energy was derived.…”

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confidence: 99%

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MRCI study on spectroscopic parameters and molecular constants of the ground state of AsP(X¹Σ⁺) molecule

Liu

Yang

Shi

et al. 2011

Int J of Quantum Chemistry

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The potential energy curve (PEC) for the ground state of AsP(X 1 R þ ) has been investigated by the highly accurate valence internally contracted multireference configuration interaction method in the Molpro2008 program package with the correlation consistent basis set. The PEC is fitted to the analytic Murrrell-Sorbie function (M-S function) from which the spectroscopic constants are determined. The present D e , B e , a e , x e v e , R e , and x e values are of 4.2823 eV, 0.188622 cm À1 , 0.000749 cm À1 , 1.984427 cm À1 , 2.0194 Å , and 598.60 cm À1 , respectively. In addition, by numerically solving the radial Schrö dinger equation of nuclear motion in the adiabatic approximation, the total of 96 vibration states is predicted when the rotational quantum number J ¼ 0. The complete vibration levels, classical turning points, inertial rotation, and centrifugal distortion constants are reproduced. Comparison has been made with recent theoretical and experimental data.

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Section: Table VIsupporting

confidence: 91%

Section: Spectroscopic Constantssupporting

confidence: 83%

Section: Table VImentioning

confidence: 99%

Section: Analytical Potential Energy Functionmentioning

confidence: 99%

mentioning

confidence: 99%

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