mBEEF-vdW: Robust fitting of error estimation density functionals

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Exchange functionals based on finite uniform electron gases.Kernel-corrected random-phase approximation for the uniform electron gas and jellium surface energy

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Q36318759-B7E51EA8-FF8D-4BC8-8AB0-92CF7962387D Q57159593-89DD7EB1-EDEE-4E81-A029-AC897B22260F

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mBEEF-vdW: Robust fitting of error estimation density functionals

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im Juni 2016 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в червні 2016

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mBEEF-vdW: Robust fitting of error estimation density functionals

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mBEEF-vdW: Robust fitting of error estimation density functionals

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mBEEF-vdW: Robust fitting of error estimation density functionals

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mBEEF-vdW: Robust fitting of error estimation density functionals

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mBEEF-vdW: Robust fitting of error estimation density functionals

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mBEEF-vdW: Robust fitting of error estimation density functionals

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mBEEF-vdW: Robust fitting of error estimation density functionals

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P2093

Jess Wellendorff

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Johannes Voss

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Keld T. Lundgaard

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Robust Estimation of a Location Parameter

Generalized Gradient Approximation Made Simple

Self-Consistent Equations Including Exchange and Correlation Effects

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Accurate and simple analytic representation of the electron-gas correlation energy

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Self-interaction correction to density-functional approximations for many-electron systems

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set.

Challenges in modeling materials properties without experimental input.

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scholarly article

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10.1103/PHYSREVB.93.235162

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English

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Karsten W Jacobsen

Thomas Bligaard

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2016-06-30T00:00:00Z

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mBEEF-vdW: Robust fitting of error estimation density functionals

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P2860

P2860

mBEEF-vdW: Robust fitting of error estimation density functionals

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type

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P1433

P1476

P2093

P2860

P31

P356

P407

P433

P478

P50

P577

P356

P1433

P1476

P2093

P2860

P31

P356

P407

P433

P478

P50

P577