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The Use of a Micro-Computer as an Aid to Theoretical Calculations

Edward Cameron Kirby ; Resource Use Institute, Balrobin, Pitiochry PH16 5HT, Scotland

Puni tekst: engleski pdf 1.292 Kb

str. 221-223

preuzimanja: 65



Ways in which 'micro-' or 'personal' computers can be used to
assist energy calculations for conjugated systems are discussed,
using as an example programs written in the high-level language
BASIC applied to simple Htickel theory. The aim of the work is
to develop short, easily understood, routines which can be used in
a flexible way, especially by the occasional user who lacks ready
access to large computing facilities.

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