CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2000, Vol. 17 ›› Issue (3): 242-247.

Previous Articles     Next Articles

THE PARALLEL ALGORITHM FOR THE CORRELATION ENERGY OF DOUBLE-ELECTRON SYSTEM

LIU Lian-jun1, XU Jing-wen2, LIU Yu-ming1, GU Hai-tao1, YIN Dong1   

  1. 1 Department of Physice, Wuhan University, Wuhan 430072, P R China;
    2 State Key Laborotary of Software Engineering, Wuhan University, Wuhan 430072, P R China
  • Received:1998-12-07 Revised:1999-05-12 Online:2000-05-25 Published:2000-05-25

Abstract: The Modified Configuration Interaction method(MCI) is used to calculate the correlated energy of multi-electron systems.For obtaining the higher precision,it calls for huge computings.In order to handle this problem,which will cost much CPU time and memory room if only using one CPU to do it, the parallel multisection recurrence algorithm is adopted by using several CPUs to get the ground state energy of Helium atom at the same time.

Key words: parallel multisection recurrence algorithm, large eigenvalue problem, Modified Configuration Interaction method(MCI), the electronic correlated energy

CLC Number: