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by
Kohn, Alexander Wolfe, author.
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-separation parameters for density functionals. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs
by
Soto, Adrián, author.
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microscopic interactions with different energy density functionals, shedding light on how to improve them. We
by
Nite, Collette M., author.
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. Screening different metal ligand scaffolds requires a high level of benchmarking, ensuring functionals and
by
Yao, Yi, author.
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functionals to study the potential of mean force for NaCl ion-separation in aqueous ionic solutions. I
by
Dai, Shuo, author.
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Chapter 2 validated our method. We first tried to find the density functionals that have best
by
Jin, Yifan, author.
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Excerpt:
Kohn-Sham DFT methods, that is, to create the new density functionals of which the orbital energies are

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