CALCULATIONS OF KINETIC DATA FOR PROCESSES LEADING TO UV SIGNATURES

FEASIBILITY AND IMPLEMENTATION ISSUES FOR NOVEL THEORETICAL METHODS REQUIRED IN OBTAINING COMPUTATIONAL CROSS SECTION INPUT FOR PLUME ULTRAVIOLET RADIATION CODE (SPURC) MODELS WILL BE ADDRESSED BY CONSIDERING CROSS SECTION FOR FORMATION OF ELECTRONICALLY EXCITED STATES OF SPECIFIC CASE MOLECULES SUCH AS NO, N(2), AND OH RESULTING FROM COLLISIONAL PROCESSES IN THE ATMOSPHERE. ELECTRONICALLY INELASTIC DYNAMICS INVOLVING SEVERAL ATOMS IN A MOLECULAR COLLISION LEADING TO METASTABLE SPECIES, RADIATIVE QUENCHING ETC. WILL BE TREATED BY EMPLOYING NOVEL SEMICLASSICAL TECHNIQUES. WE WILL IDENTIFY RELEVANT ELECTRONIC STATES, COUPLING AND KEY SCATTERING PROBLEMS THAT WILL HAVE TO BE SOLVED AND DEVELOP AND VALIDATE THE NECESSARY THEORETICAL METHODS DURING PHASE I. THE ACTUAL DETAILED COMPUTATIONS INCLUDING QUANTUM CHEMISTRY INPUT, AND DYNAMICAL STUDIED ARE BEING PLANNED FOR PHASE II. THE THEORETICAL METHODOLOGY TO BE DEVELOPED CAN BE APPLIED TO A NUMBER OF DEFENSE-RELATED AS WELL AS COMMERCIAL TARGET PROBLEMS WHERE IMPLEMENTATIONS TO PROVIDE COMPUTATIONAL SUPPORT AS WELL AS QUALITATIVE TO QUANTITATIVE LEVELS OF INSIGHT ARE POSSIBLE.