A SIMPLIFIED MULTICENTER INTEGRATION FOR ONE-ELECTRON OPERATORS
A SIMPLIFIED MULTICENTER INTEGRATION FOR ONE-ELECTRON OPERATORS作者机构:Coordination Chemistry Institute Nanjing University Shanghai Institute of Computer Technology Coordination Chemistry Institute Nanjing University
出 版 物:《Chinese Science Bulletin》 (Science Bulletin)
年 卷 期:1988年第33卷第16期
页 面:1350-1355页
学科分类:07[理学] 0701[理学-数学] 070101[理学-基础数学]
主 题:simplified integration monoelectron operators tricenter
摘 要:Based on the expansion of slater type atomic orbitals (STO) into a linear combination of Gaussian type function (GTF), we have proposed a rather simple multicenter integration for one-electron operators which could be used for s, p, d and f orbitals.