Reference Data
- SCAN330 dataset
- The quantum-simulation.org SCAN330 dataset
- PBE400 dataset
- The quantum-simulation.org PBE400 dataset
- SALT2017 dataset
- Simulations of the effects of dissolved NaCl on the structure of water, from the paper by A. Gaiduk and G. Galli, Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.7b00239 J. Phys. Chem. Lett. 8, 1496 (2017).
- NACL2016 dataset
- The NACL2016 solvated NaCl dataset
- RSB benchmark data
- Benchmark data related to recursive subspace bisection and wave function compression. (See W. Dawson and F. Gygi, Performance and Accuracy of Recursive Subspace Bisection for Hybrid DFT Calculations in Inhomogeneous Systems, J. Chem. Theory Comput. 11, 4655 (2015).) http://pubs.acs.org/doi/10.1021/acs.jctc.5b00826
- Diamond
- electronic structure of bulk diamond
- H2O dimer
- structure of the water dimer
- Germanium
- Electronic structure of the Ge crystal