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Diagrammatic many-body perturbation expansion for atoms and molecules VIII. ccMBPT-4t

โœ Scribed by D. Moncrieff; V.R. Saunders; S. Wilson

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
643 KB
Volume
70
Category
Article
ISSN
0010-4655

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โœฆ Synopsis

A program for calculating the correlation energy components associated with each of the fourth-order diagrams involving triply excited intermediate states in the many-body perturbation theory expansion is presented. The program exhibits a high level of vectorization and parallelism and execution rates of 2.284 Gflops have been reported on the CRAY Y-MP/8128 computer.

๐Ÿ“œ SIMILAR VOLUMES

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The efficient evaluation of the second-order expression in the many-body perturbation theory expansion for the correlation energy on vector processing and parallel processing computers is discussed. It is argued that the linked diagram theorem not only leads to the well known theoretical advantages