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

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

© 2017 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 38(2017), 26 vom: 05. Okt., Seite 2258-2267
1. Verfasser: Borpuzari, Manash Protim (VerfasserIn)
Weitere Verfasser: Kar, Rahul
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2017
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't ELF-tuning non-empirical tuning orbital energies range-separated functional
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