Question

ii.Characterizing the Stationary Point At a minimum energy structure, the forces should all be zero. When performing a geometry optimization, are you guaranteed to arrive at a local minimum when the forces are all zero? If not why not? What is a stationary point on the potential energy surface?

Answer 1

When he formy a pometry optimizabon-Byettek you the quaianted to anore at a local mmimum lehen the forces are all zelo as we know that the only ponts at which funefrous can have a local" maximum or minimim ase points at which the devvative is zero Since the gran cane is of potential energy & distamie Leithough you should menbroon in question's diagram), there we know that, - Edit and at local minimum the duratre of I should be equal to o ie, the should also equal to o.. The stationary bounds on the polentral cuergy cunc are ponts with zero gradient & 'hast physłal meaning that the energy minima correspond to thysically Studdle cluemical speciesa Please like it this was helffell Hammettovith am Scanner