Range‐separated density functional theory using multiresolution analysis and quantum computing
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27384
Abstract: Quantum computers are expected to outperform classical computers for specific problems in quantum chemistry. Such calculations remain expensive, but costs can be lowered through the partition of the molecular system. In the present study, partition… read more here.
Keywords: chemistry; range separated; functional theory; separated density ... See more keywords