Mechanization of tedious algebra—the e coefficients of theoretical chemistry

Authors:
H. D. Wactlar;M. P. Barnett
Affiliations:
Univ. of Maryland, College Park;Univ. of London Computer Unit, London, England
Venue:
Communications of the ACM
Year:
1964

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Abstract

A table of formulas for certain integrals involving Legendre functions has been constructed mechanically by a program which performed algebraic operations. The formulas are all rational algebraic expressions in a single variable and were constructed by a recurrence procedure. They are of interest in molecular quantum chemistry. Trivial coding techniques were used to write the relevant programs in FORTRAN. The results were photocomposed on a Photon S-560 system, that was controlled by tapes which were punched directly from the computer output, so avoiding manual keyboarding, transcription errors and keyboarded correction.