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IN addition to (A) vertical ionization potentials,which wereinvestigated in our earlier study of the semiempirical HAM/3molecular orbital method,a wide variety of other kinds ofelectronic processes are examined in this work.These include:(B) excitations of valence electrons,(C) electron attachments,(D) excitations of anions,(E) valence-electron shake-up pro-cesses,(F) ionizations of core electrons,(G) double ioniza-tions,(H) excitations of core electrons,(I) X-ray emissions,(J) ejection of Auger electrons,and (K) shake-up processes incore ionizations.The performance of HAM/3 in these applica-tions and possible improvements in some specific areas of themethod are outlined.The effects of geometrical changes andother aspects of the HAM model are also discussed.
IN addition to (A) vertical ionization potentials, which were investigated in our earlier study of the semiempirical HAM / 3 molecular orbital method, a wide variety of other kinds of electronic processes are examined in this work. These include: (B) excitations of valence electrons, (C) electron attachments, (D) excitations of anions, (E) valence-electron shake-up pro-cesses, (F) ionizations of core electrons, (G) double ionizaions, (H) excitations of core electrons, (I) X-ray emissions, (J) ejection of Auger electrons, and (K) shake-up processes incore ionizations. The performance of HAM / 3 in these applica- tions and possible improvements in some specific areas of the themethods are outlined. The effects of geometrical changes andother aspects of the HAM model are also discussed.