Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds
Samuel Fux(ETH Zurich), Markus Reiher(ETH Zurich)
Cited by 202
Related Papers
Quantum Computing for Molecular Biology**
|ChemBioChem|2023|76
High-throughput <i>ab initio</i> reaction mechanism exploration in the cloud with automated multi-reference validation
|The Journal of Chemical Physics|2023|26
Flexible DMRG-Based Framework for Anharmonic Vibrational Calculations
|Journal of Chemical Theory and Computation|2023|21
SCINE—Software for chemical interaction networks
|The Journal of Chemical Physics|2024|19