Adaptive basis sets for practical quantum computing
Electronic structure calculations on small systems such as H2, H2O, LiH, and BeH2 with
chemical accuracy are still a challenge for the current generation of noisy intermediate …
chemical accuracy are still a challenge for the current generation of noisy intermediate …
Probing the sensitivity of ab initio multiple spawning to its parameters
Y Lassmann, BFE Curchod - Theoretical Chemistry Accounts, 2023 - Springer
Full multiple spawning (FMS) offers a strategy to simulate the nonadiabatic dynamics of
molecular systems by describing their nuclear wavefunctions by a linear combination of …
molecular systems by describing their nuclear wavefunctions by a linear combination of …