Theory based on Calculations

In Section II, four molecular mechanisms—a, b, c, and d—are briefly observed. These mechanisms allow us to model analytically the water/ice spectra in terms of classical theory based on calculation of autocorrelation function (ACF). Our description is restricted by the results of this theory. A more detailed consideration is given in the second part of the review. 

In any event, the objective is to generate the best energies of the atomic and molecular orbitals and increasingly, the total energy. Thus, there are many excellent calculations in the literature of molecular orbital theory using the Slater approach and there are many early successes of molecular orbital theory based on calculations involving Slater-type orbitals. 

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