Acta Chimica Sinica ›› 1986, Vol. 44 ›› Issue (6): 539-544.     Next Articles

Original Articles

密度矩阵旋转法 - 绕过波函数直接求密度矩阵

丁涪江;张良辅;李广年   

  1. 中国科学院成都有机化学研究所
  • 发布日期:1986-06-15

P matrix rotation method-obtaining directly the density matrix without considering the wave function

DING FUJIANG;ZHANG LIANGFU;LI GUANGNIAN   

  • Published:1986-06-15

Key words: COMPUTER APPLICATIONS, QUANTUM CHEMISTRY, CNDO APPROXIMATION, WAVE FUNCTIONS, SPINING, DENSITY MATRIX

CLC Number: