Parallel calculations of molecular properties

We discuss aspects of the parallelization of the Dalton quantum chemistry p rogram, with particular emphasis on the calculation of second- and higher-o rder properties for large molecules. Our treatment includes real :mcf imagi nary perturbations, both frequency-dependent and static. The scaling behavi our of our approach, which is rather coarse-grained, is examined on differe nt parallel platforms, including the Cray-T3E and an IBM SP with the latest multiprocessor nodes. The excellent scaling behaviour on the latter is esp ecially significant given that the first TFLOPS computer available to the U S academic community will be built From these nodes and deployed here at Sa n Diego Supercomputer Center before the end of 1999. We then discuss applic ations of the code to several areas of interest in chemical physics, (C) 20 00 published by Elsevier Science B.V. All rights reserved.