DYNAMICS OF CHEMICAL-REACTIVITY INDEXES FOR A MANY-ELECTRON SYSTEM INITS GROUND AND EXCITED-STATES

A quantum fluid density functional approach is adopted to study the ti me evolution of various reactivity parameters such as electronegativit y, hardness, polarizability, and entropy associated with a collision p rocess between a proton and a Be atom in its ground and excited electr onic states. This collision process may be considered to be a model mi micking the actual chemical reaction between a Be atom and a proton to give rise to a BeH+ molecule. A favorable dynamical process involving a ground or an excited state is characterized by maximum hardness, mi nimum polarizability, and maximum entropy values.