Top network posts

• 31 What correlation effects are included in DFT?
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• 19 Validity of adiabatic approximation in TDDFT
• 18 Are plane-wave basis sets reliable for modeling adsorption processes?
• 17 How can reactivity indices be calculated in a time-dependent scheme?
• 17 What exactly is a topological insulator and how to recognize one from band structure?
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