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Verktaj

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31 What correlation effects are included in DFT? Apr 28 '20
25 What is the current status of machine learning applied to materials or molecular systems? Apr 28 '20
25 What are the best functionals for transition metal compounds? Apr 30 '20
19 Validity of adiabatic approximation in TDDFT May 3 '20
18 Are plane-wave basis sets reliable for modeling adsorption processes? Apr 29 '20
17 What exactly is a topological insulator and how to recognize one from band structure? May 11 '20
16 How can reactivity indices be calculated in a time-dependent scheme? May 3 '20
14 What are the computational limits of explicitly correlated methods? May 15 '20
14 On mass polarization terms May 18 '20
14 Appropriate functionals for prediction of NMR spectra of transition metal compounds May 2 '20
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