| ATOMIC AND MOLECULAR PHYSICS |
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Theoretical Investigation on the Low-Lying States of LaP Molecule |
| Nagat Elkahwagy1**, Atif Ismail1,2, S. M. A. Maize3, K. R. Mahmoud1 |
1Department of Physics, Faculty of Science, Kafrelsheikh University, Kafr El-Sheikh, Egypt
2Department of Physics, Faculty of Applied Sciences, Umm Al Qura University, Makkah, Saudi Arabia
3Department of Physics, Faculty of Science, Menoufia University, Shebin El-Kom, Egypt
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| Cite this article: |
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Nagat Elkahwagy, Atif Ismail, S. M. A. Maize et al 2018 Chin. Phys. Lett. 35 103101 |
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Abstract The completely unexplored LaP molecule is investigated by ab initio methods. Potential energy curves for the low-lying states of LaP are constructed by means of the diffusion Monte Carlo method combined with three different trial functions. Spectroscopic constants are also numerically derived and the ground state is assigned, looking forward to experimental comparisons. Moreover, variations of the permanent dipole moments as a function of the internuclear separation for the two lowest states of the diatomic LaP are studied and analyzed.
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Received: 26 June 2018
Published: 15 September 2018
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| PACS: |
31.15.E-
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31.50.Bc
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(Potential energy surfaces for ground electronic states)
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31.15.V-
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(Electron correlation calculations for atoms, ions and molecules)
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