Browsing by Subject "Quantum chemistry -- Methodology"
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Item Positron molecule scattering(Texas Tech University, 2002-05) Nichols, Patrick JayA model for including the effects of virtual positronium formation in positron molecule scattering has been developed. This model is based upon ab initio quantum chemistry methods with a modification of the interaction of the positron and the electrons of the molecule. Results from the application of this model to several molecules have shown that this model is not only accurate but easily extendable to larger molecules.