Parallel Calculation of Coupled Cluster Singles and Doubles Wave Functions Using Array Files
作者： Tomasz Janowski , Alan R. Ford , Peter Pulay
DOI: 10.1021/CT700048U
关键词:
摘要: … The parallel CCSD program has been implemented in the academic version of the PQS 23 program package. In its basic architecture, it is similar to the original Self-Consistent Electron …
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