Basis Functions for Ab Initio Calculations

Leland C. Allen and Arnold M. Karo

Rev. Mod. Phys. 32, 275 – Published 1 April 1960

I. INTRODUCTION 

THIS article gives a compilation and basis function analysis of existing ab initio molecular eigenfunctions. Our review pertains to that body of the literature in which a direct solution of the Schrodinger equation is attempted, and especially that part which we believe offers the greatest opportunity for extension to the complicated molecules of chemical interest. The specific content of the article is frankly devoid of a connection with chemically significant problems. It is important for a future review to develop this connection, and it should be done in a more empirical framework than we have used.

 

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http://sci-hub.tw/https://doi.org/10.1103/RevModPhys.32.275