CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2006, Vol. 23 ›› Issue (2): 158-164.

Previous Articles     Next Articles

A Variational Calculation of Equilateral Triangle H3 and Tetrahedron H4

GUO Zhi-quan1, WANG Kai-ming1, WANG Hong-de1, GUO Qiu2, YU Yong-xin1, GAO Shou-shan1   

  1. 1. School of Mathematics and Physics, Anshan University of Science and Technology, Anshan 114044, China;
    2. School of Computer, Anshan University of Science and Technology, Anshan 114044, China
  • Received:2005-01-04 Revised:2005-04-14 Online:2006-03-25 Published:2006-03-25

Abstract: With a variational method and a modified arrangmement channel quantum mechanics(MACQM) method, the energies of a equilateral triangle H3 and a tetrahedron H4 system are calculated. The result shows that as α=1.03 and R=1.74a0, the H3 system has a minimal energy of -1.58161 a.u.; as α=1.07 and R=1.60 a0, the H4 system has a minimal energy of -2.28097 a.u.. It shows that both structures could exist.

Key words: variational method, arrangement channel, structure and energy equilateral, triangle, tetrahedron

CLC Number: