Open AccessELECTRONIC STRUCTRUE AND GEOMETRY OF Na3
Author(s) -
Peihong Zhang,
Jiali Yang,
Lei Liu,
Jiaming Li
Publication year - 1997
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.46.870
Subject(s) - ground state , stability (learning theory) , jahn–teller effect , surface (topology) , potential energy surface , state (computer science) , geometry , energy (signal processing) , computer science , physics , atomic physics , algorithm , quantum mechanics , mathematics , ab initio , ion , machine learning
In this paper,the ground state potential surface of Na3 is calculated by employing the discrete variational method.The calculated ground state equilibriun geometry,vibrational frequencies,Jahn-Teller stability energy and Jahn-Teller localization energy are in good agreement with the experimental data.