Eur. Phys. J. D (2014) 68: 5
https://doi.org/10.1140/epjd/e2013-40437-2

Regular Article

Analytical potential curves of some hydride molecules using algebraic and energy-consistent method

¹ Research Center for Advanced Computation, School of Physics and Chemistry, Xihua University, Chengdu, Sichuan 610039, P.R. China
² Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P.R. China

^a e-mail: fanqunchao@sina.com
^b e-mail: swg@mail.xhu.edu.cn

Received: 23 July 2013
Received in final form: 21 October 2013
Published online: 22 January 2014

Abstract

Based on the algebraic method (AM) and the energy consistent method (ECM), an AM-ECM protocol for analytical potential energy curves of stable diatomic electronic states is proposed as functions of the internuclear distance. Applications of the AM-ECM to the 6 hydride electronic states of HF-X¹Σ⁺, DF-X¹Σ⁺, D³⁵Cl-X¹Σ⁺, ⁶LiH-X¹Σ⁺, ⁷LiH-X¹Σ⁺, and ⁷LiD-X¹Σ⁺ show that the AM-ECM potentials are in excellent agreement with the experimental RKR data and the full AM-RKR data, and that the AM-ECM can obtain reliable analytical potential energies in the molecular asymptotic and dissociation region for these molecular electronic states.