#densityfunctionals search results
J Chem. Theory Comput. Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization @JCIM_JCTC #DFT #densityfunctionals pubs.acs.org/doi/10.1021/ac…
pubs.acs.org
Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization
This work introduces a new class of hybrid density functional theory (DFT) approximations, which incorporate different fractions of nonlocal exact exchange in predefined states such as core atomic...
Adv. Theory Simul. London Dispersion-Corrected #DensityFunctionals Applied to van der Waals Stacked Layered #Materials: Validation of Structure, Energy, and Electronic Properties @WileyCTChem #compchem #DFT @ThomasHeine14 onlinelibrary.wiley.com/doi/full/10.10…
Nat. Commun. Exact exchange-correlation potentials from ground-state electron densities @NatureComms #DFT #ExchangeCorrelation #DensityFunctionals nature.com/articles/s4146…
J Chem. Theory Comput. Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization @JCIM_JCTC #DFT #densityfunctionals pubs.acs.org/doi/10.1021/ac…
pubs.acs.org
Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization
This work introduces a new class of hybrid density functional theory (DFT) approximations, which incorporate different fractions of nonlocal exact exchange in predefined states such as core atomic...
Adv. Theory Simul. London Dispersion-Corrected #DensityFunctionals Applied to van der Waals Stacked Layered #Materials: Validation of Structure, Energy, and Electronic Properties @WileyCTChem #compchem #DFT @ThomasHeine14 onlinelibrary.wiley.com/doi/full/10.10…
Nat. Commun. Exact exchange-correlation potentials from ground-state electron densities @NatureComms #DFT #ExchangeCorrelation #DensityFunctionals nature.com/articles/s4146…
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