Structure and Property of La3 and La4 Molecule
CSTR:
Author:
Affiliation:

Clc Number:

O614.331

Fund Project:

  • Article
  • |
  • Figures
  • |
  • Metrics
  • |
  • Reference
  • |
  • Related
  • |
  • Cited by
  • |
  • Materials
  • |
  • Comments
    Abstract:

    3 stable and 6 stable structure of electronic states for La_(3) and La_(4) are found using the density functional method B3LYP with relativistic effective core potentials, respectively. The most stable electronic state is of D_(3h )structure for La_(3) and the planar C_(2v )structure for La_(4).The analysis of the relationships among these various geometrical configurations, based on the Jahn-Teller effect, vibronic interaction and the resolution of group representations, is in agreement with the calculated results.

    Reference
    Related
    Cited by
Get Citation

李道华,李权,忻新泉. La3和La4分子的结构与性质分析[J].重庆大学学报,2004,27(10):56~59

Copy
Related Videos

Share
Article Metrics
  • Abstract:
  • PDF:
  • HTML:
  • Cited by:
History
  • Received:
  • Revised:May 11,2004
  • Adopted:
  • Online:
  • Published:
Article QR Code