Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Publication type: Journal Article
Publication date: 1992-08-15
scimago Q1
wos Q2
SJR: 0.819
CiteScore: 5.3
Impact factor: 3.1
ISSN: 00219606, 10897690
DOI:
10.1063/1.463096
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Various contracted Gaussian basis sets for atoms up to Kr are presented which have been determined by optimizing atomic self-consistent field ground state energies with respect to all basis set parameters, i.e., orbital exponents and contraction coefficients.
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GOST
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Schäfer A., Horn H., Ahlrichs R. Fully optimized contracted Gaussian basis sets for atoms Li to Kr // Journal of Chemical Physics. 1992. Vol. 97. No. 4. pp. 2571-2577.
GOST all authors (up to 50)
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Schäfer A., Horn H., Ahlrichs R. Fully optimized contracted Gaussian basis sets for atoms Li to Kr // Journal of Chemical Physics. 1992. Vol. 97. No. 4. pp. 2571-2577.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1063/1.463096
UR - https://doi.org/10.1063/1.463096
TI - Fully optimized contracted Gaussian basis sets for atoms Li to Kr
T2 - Journal of Chemical Physics
AU - Schäfer, Ansgar
AU - Horn, Hans
AU - Ahlrichs, Reinhart
PY - 1992
DA - 1992/08/15
PB - AIP Publishing
SP - 2571-2577
IS - 4
VL - 97
SN - 0021-9606
SN - 1089-7690
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{1992_Schäfer,
author = {Ansgar Schäfer and Hans Horn and Reinhart Ahlrichs},
title = {Fully optimized contracted Gaussian basis sets for atoms Li to Kr},
journal = {Journal of Chemical Physics},
year = {1992},
volume = {97},
publisher = {AIP Publishing},
month = {aug},
url = {https://doi.org/10.1063/1.463096},
number = {4},
pages = {2571--2577},
doi = {10.1063/1.463096}
}
Cite this
MLA
Copy
Schäfer, Ansgar, et al. “Fully optimized contracted Gaussian basis sets for atoms Li to Kr.” Journal of Chemical Physics, vol. 97, no. 4, Aug. 1992, pp. 2571-2577. https://doi.org/10.1063/1.463096.