Computing the interaction potential between the positron and the atomic or molecular target requires substantial computing resources. We found that the amount of I/O and cpu time become prohibitive on any standard, sequential (single-node) computer for targets of even moderate size, such as SF6.
A concurrent solution to these problems is now not only feasible, but inexpensive as well. We have constructed a series Mark I-V of Beowulf clusters (named Gamera) each under $15,000, to perform these calculations using our own PATMOL parallel quantum chemistry codes.
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