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A SIMPLIFIED MULTICENTER INTEGRATION FOR ONE-ELECTRON OPERATORS

A SIMPLIFIED MULTICENTER INTEGRATION FOR ONE-ELECTRON OPERATORS

作     者:吴伟雄 游效曾 WU WEIXIONG YOU XIAOZENG (Coordination Chemistry Institute, Nanjing University) Shanghai Institute of Computer Technology

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.

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