PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing
D.N. Laikov
1
,
Yu A Ustynyuk
1
Publication type: Journal Article
Publication date: 2005-03-01
scimago Q3
SJR: 0.305
CiteScore: 2.8
Impact factor: —
ISSN: 10665285, 15739171
General Chemistry
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.
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Laikov D. et al. PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing // Russian Chemical Bulletin. 2005. Vol. 54. No. 3. pp. 820-826.
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Laikov D., Ustynyuk Yu. A. PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing // Russian Chemical Bulletin. 2005. Vol. 54. No. 3. pp. 820-826.
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TY - JOUR
DO - 10.1007/s11172-005-0329-x
UR - http://link.springer.com/10.1007/s11172-005-0329-x
TI - PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing
T2 - Russian Chemical Bulletin
AU - Laikov, D.N.
AU - Ustynyuk, Yu A
PY - 2005
DA - 2005/03/01
PB - Springer Nature
SP - 820-826
IS - 3
VL - 54
SN - 1066-5285
SN - 1573-9171
ER -
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BibTex (up to 50 authors)
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@article{2005_Laikov,
author = {D.N. Laikov and Yu A Ustynyuk},
title = {PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing},
journal = {Russian Chemical Bulletin},
year = {2005},
volume = {54},
publisher = {Springer Nature},
month = {mar},
url = {http://link.springer.com/10.1007/s11172-005-0329-x},
number = {3},
pages = {820--826},
doi = {10.1007/s11172-005-0329-x}
}
Cite this
MLA
Copy
Laikov, D.N., et al. “PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing.” Russian Chemical Bulletin, vol. 54, no. 3, Mar. 2005, pp. 820-826. http://link.springer.com/10.1007/s11172-005-0329-x.
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