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An efficient UMP2 program

✍ Scribed by P. Čársky; J. Fabian; B. A. Hess Jr.; L. J. Schaad

Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
233 KB
Volume
6
Category
Article
ISSN
0192-8651

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✦ Synopsis

Timings are reported for 6-31G*/UMP2 calculations on planar allene, twisted ethylene, cyclopropenyl anion, allyl, ethyl, isopropyl and CF, radicals performed by means of the programs GAUSSIAN 80 and HONDO UMP2. The comparison of the two programs is used for pointing out several factors affecting the speed of MP2 calculations.

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