We describe an efficient implementation of the pseudospectral multi-reference single- and double-excitation configuration interaction method on a distributed memory parallel architecture. Near-linear speedups are achieved up to 16 processors for a single-reference test case, demonstrating that pseudospectral methods are uniquely suited to parallel processing.
|Original language||English (US)|
|Number of pages||7|
|Journal||Chemical Physics Letters|
|State||Published - Aug 4 1995|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry