Derived and derivative algorithms refer to computational models or methods that evolve from, adapt, or draw inspiration from pre-existing algorithms. These new algorithms must introduce innovative ...

IIRC, there is no best numerical derivative algorithm. Each of them is unstable for some inputs. Oddly, integration algorithms are usually stable, though often not fast.<P>Symbolic differention is a ...

"Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization." ScienceDaily. www.sciencedaily.com / releases / 2022 / 11 / 221129112741.htm ...

In recent years, research and development on quantum computers has made considerable progress. Quantum chemical calculations for electronic structures of atoms and molecules are attracting great ...