A general framework for active space embedding methods with applications in quantum computing
- Stefano Battaglia
- Max Rossmannek
- et al.
- 2024
- npj Computational Materials
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2 results for Vladimir V. Rybkin
CP2K: An electronic structure and molecular dynamics software package -Quickstep: Efficient and accurate electronic structure calculations
- Thomas D. Kühne
- Marcella Iannuzzi
- et al.
- 2020
- Journal of Chemical Physics