PRIRODA-04: a quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2005-03

AUTHORS

D. N. Laikov, Yu. A. Ustynyuk

ABSTRACT

Main characteristics are described of the PRIRODA quantum-chemical program suite designed for the study of complex molecular systems by the density functional theory, at the MP2, MP3, and MP4 levels of multiparticle perturbation theory, and by the coupled-cluster single and double excitations method (CCSD) with the application of parallel computing. A number of examples of calculations are presented. More... »

PAGES

820-826

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11172-005-0329-x

DOI

http://dx.doi.org/10.1007/s11172-005-0329-x

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1020609946


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