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A new nonempirical tuning scheme with single self-consistent field calculation: Comparison with global and IP-tuned

Manash Protim Borpuzari1, Rahul Kar1

  • 1Department of Chemistry, Dibrugarh University, Dibrugarh, Assam, 786004, India.

Journal of Computational Chemistry
|July 19, 2017
PubMed

Keywords:
ELF-tuningnon-empirical tuningorbital energiesrange-separated functional

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