Effect of DFT Exchange Correlation Functionals and basis set Quality on the Calculations of the Magnetic Coupling Parameter J

Mohamed Makhyoun
Mohamed Makhyoun
Nicholas Lees-Gayed
Nicholas Lees-Gayed
Raghdaa A. Massoud
Raghdaa A. Massoud
Alexandria University Alexandria University

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Effect of DFT Exchange Correlation Functionals and basis set Quality on the Calculations of  the Magnetic Coupling Parameter J

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References

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Funding

No external funding was declared for this work.

Conflict of Interest

The authors declare no conflict of interest.

Ethical Approval

No ethics committee approval was required for this article type.

Data Availability

Not applicable for this article.

How to Cite This Article

Mohamed Makhyoun. 2019. \u201cEffect of DFT Exchange Correlation Functionals and basis set Quality on the Calculations of the Magnetic Coupling Parameter J\u201d. Global Journal of Science Frontier Research - B: Chemistry GJSFR-B Volume 19 (GJSFR Volume 19 Issue B2).

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Journal Specifications

Crossref Journal DOI 10.17406/GJSFR

Print ISSN 0975-5896

e-ISSN 2249-4626

Keywords
Classification
GJSFR-B Classification FOR Code: 030199
Version of record

v1.2

Issue date
June 25, 2019

Language
en
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Effect of DFT Exchange Correlation Functionals and basis set Quality on the Calculations of the Magnetic Coupling Parameter J

Mohamed Makhyoun
Mohamed Makhyoun <p>Alexandria University</p>
Nicholas Lees-Gayed
Nicholas Lees-Gayed
Raghdaa A. Massoud
Raghdaa A. Massoud

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