- 作者: 張志強
- 作者服務機構: Department of Chemistry, National Cheng Kung University, Tainan, Taiwan 700, R.O.C.
- 中文摘要: In the variational optimization of a trial function the proper functional to be varied is the Rayleigh quotient with the noralization constraint explicitly imposed. It will be shown that only under certain very rigorous conditions can one use the energy functional to replace the Rayleigh quotient and that, therefore, the normalization constraint is by no means a matter of no consequence.
- 英文摘要: --
- 中文關鍵字: Variational method; SCF method; EIL method.
- 英文關鍵字: Variational method; SCF method; EIL method.