Quantification of geometric errors {made|produced|created} {simple|easy|straightforward|basic|uncomplicated|very simple}: application to main-group molecular structures
{Nearly|Almost|Practically} all electronic structure simulations {begin|start|commence} with {obtaining|acquiring|getting} approximate geometries, {making|creating|producing|generating} a systematic quantification of errors in approximate molecular structures of {key|important|crucial|essential} {importance|significance|value}. {Recently|Lately|Not too long ago}, the geometric {energy|power}…