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
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.
(Electron correlation calculations for atoms, ions and molecules)
引用本文:
. [J]. 中国物理快报, 2018, 35(10): 103101-.
Nagat Elkahwagy, Atif Ismail, S. M. A. Maize, K. R. Mahmoud. Theoretical Investigation on the Low-Lying States of LaP Molecule. Chin. Phys. Lett., 2018, 35(10): 103101-.
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2018, Vol. 35 
