首页 | 本学科首页   官方微博 | 高级检索  
     


N2-time-dependent SCF scheme
Authors:Ludwik Adamowicz  E. A. McCullough
Abstract:A new procedure for the Fock matrix operator construction is proposed. Its application for RHF calculations on diatomic molecules using Slater orbital basis sets shows that the computation time for the new SCF procedure is proportional to the square of the basis set size.
Keywords:
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号