Top network posts
- 19 Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?
- 17 What are the pitfalls for new users of DFT?
- 17 Materials Modeling with Raspberry Pi?
- 17 How does the Hartree-Fock method improve on Hartree after considering the wavefunction that takes the anti-symmetry property into account?
- 15 Orbitals in full CI and DFT with true functional
- 15 References for Molecular Dynamics?
- 15 On the nature of zero-point energy (ZPE)
- View more network posts →