Published October 1, 2018 | Version v1
Journal article Metadata-only

Theoretical Investigation on the Low-Lying States of LaP Molecule

Creators

  • 1. Department of Physics, Faculty of Science, Kafrelsheikh University, Kafr El-Sheikh (Egypt)
  • 2. Department of Physics, Faculty of Science, Menoufia University, Shebin El-Kom (Egypt)

Description

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. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/0256-307X/35/10/103101

Additional details

Identifiers

DOI
10.1088/0256-307X/35/10/103101;

Publishing Information

Journal Title
Chinese Physics Letters
Journal Volume
35
Journal Issue
10
Journal Page Range
[4 p.]
ISSN
0256-307X
CODEN
CPLEEU

INIS

Country of Publication
China
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
52041328
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
COMPARATIVE EVALUATIONS; DIFFUSION MONTE CARLO METHOD; DIPOLE MOMENTS; GROUND STATES; LANTHANUM PHOSPHIDES; MOLECULES; POTENTIAL ENERGY
Descriptors DEC
CALCULATION METHODS; ENERGY; ENERGY LEVELS; EVALUATION; LANTHANUM COMPOUNDS; MONTE CARLO METHOD; PHOSPHIDES; PHOSPHORUS COMPOUNDS; PNICTIDES; QUANTUM MONTE CARLO METHOD; RARE EARTH COMPOUNDS