The ORCA program system
Publication type: Journal Article
Publication date: 2011-06-28
scimago Q1
wos Q1
SJR: 4.501
CiteScore: 38.1
Impact factor: 27.0
ISSN: 17590876, 17590884
DOI:
10.1002/wcms.81
Materials Chemistry
Biochemistry
Physical and Theoretical Chemistry
Computer Science Applications
Computational Mathematics
Abstract
ORCA is a general‐purpose quantum chemistry program package that features virtually all modern electronic structure methods (density functional theory, many‐body perturbation and coupled cluster theories, and multireference and semiempirical methods). It is designed with the aim of generality, extendibility, efficiency, and user friendliness. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA uses standard Gaussian basis functions and is fully parallelized. The article provides an overview of its current possibilities and documents its efficiency. © 2011 John Wiley & Sons, Ltd.
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GOST
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Neese F. The ORCA program system // Wiley Interdisciplinary Reviews: Computational Molecular Science. 2011. Vol. 2. No. 1. pp. 73-78.
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Neese F. The ORCA program system // Wiley Interdisciplinary Reviews: Computational Molecular Science. 2011. Vol. 2. No. 1. pp. 73-78.
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RIS
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TY - JOUR
DO - 10.1002/wcms.81
UR - https://doi.org/10.1002/wcms.81
TI - The ORCA program system
T2 - Wiley Interdisciplinary Reviews: Computational Molecular Science
AU - Neese, Frank
PY - 2011
DA - 2011/06/28
PB - Wiley
SP - 73-78
IS - 1
VL - 2
SN - 1759-0876
SN - 1759-0884
ER -
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@article{2011_Neese,
author = {Frank Neese},
title = {The ORCA program system},
journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
year = {2011},
volume = {2},
publisher = {Wiley},
month = {jun},
url = {https://doi.org/10.1002/wcms.81},
number = {1},
pages = {73--78},
doi = {10.1002/wcms.81}
}
Cite this
MLA
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Neese, Frank. “The ORCA program system.” Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 2, no. 1, Jun. 2011, pp. 73-78. https://doi.org/10.1002/wcms.81.