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Gaussian Integral Program System

Popkie, H. E., "GIPSY (Gaussian Integral Program System) A... [Pg.423]

It was in 197 that we began development of our new series of Gaussian integral programs especially designed for large molecules MOLASYS (Molecular Orbital Calculations on Large Systems)... [Pg.410]

System of Computer Programs for the Evaluation of One- and Two-Electron Integrals Involving s-, p- and d-type Contracted Cartesian Gaussian Functions," The Johns Hopkins University, 1975. [Pg.423]

In benchmark calculations [48, 120], however, one needs to perform atomic integrations of energy densities obtained from systems which satisfy the molecular virial theorem exactly (see discussion in Ref. [120]). Dr. Keith has written a link [121] for the Gaussian program [122] that implements Lowdin s scaling of the electronic coordinates [123, 124], the so-called self-consistent... [Pg.349]


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