✍ Scribed by Josip Hendeković; Davor Kirin; Milica Pavlović
No coin nor oath required. For personal study only.
The Iterative algorithm For solvmg the openshell SCF secular equattons proposed earher, is tested numerkaBY ou several states of ozone A strong dependence of the convergence rate on the values of the Free parameters $rll is revealed. The a&onthm is Found to be compatible with Davidson's chorce of these parameters.
It is shown also how this algorithm I'IUY be USed when the cilculatron rs performed III a nonilrthogonal basrs set.
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