Top Tweets for #KohnSham

over 2 years ago

This is crazy - heterometallic dimetallocene - I looove the choices of metals (Li, Al). #frontierorbitals #kohnsham

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over 3 years ago

Pleased to share my first solo-author article which presents exact expressions for key features of the Kohn-Sham potential needed to model chemical processes. Phys. Rev. A 104, 032803 (2021) - https://t.co/51I3DSuCvD #research #Chemistry #Physics #DFT #KohnSham

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Manas Sharma, PhD 👨‍💻👨‍🔬 @ManasSharma07

almost 4 years ago

📢Ever wondered about the approximations used in, the popular, Kohn-Sham variant of Density Functional Theory? 🤔 Read now to know more⬇️ #DFT #CompChem #KohnSham https://t.co/8pM69Htook

The Innovation Materials

@Innov_Materials

over 4 years ago

J Chem. Theory Comput. Generalized Formulation of the #DensityFunctional #TightBinding-Based Restricted Ensemble Kohn–Sham Method with Onsite Correction to Long-Range Correction @JCIM_JCTC #DFTB #compchem #KohnSham https://t.co/f5wyNkAQ2k

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