首页 | 本学科首页   官方微博 | 高级检索  
     


Two-electron coulomb integrals with minimal group theory. Direct analytic solution and computer program
Authors:B. Cameron Reed
Affiliation:(1) Department of Physics, Alma College, 48801 Alma, MI
Abstract:A general closed-form analytic solution is developed for two-electron Coulomb integrals such as those that appear in perturbative treatments of multielectron atoms. In developing this solution, no recourse is necessary to group theory, Clebsch-Gordan coefficients, or specialized coordinate transformations: only familiar properties of hydrogenic wavefunctions and standard integrals are employed. One constraint from group theory is adopted for the purpose of establishing an upper limit on an index of summation for computational purposes. An accurate and efficient computer program for evaluating such integrals is made available.
Keywords:Configuration-Interaction integrals    Coulomb integrals
本文献已被 SpringerLink 等数据库收录!
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