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Extra resources for Electronic Structure and Properties of Transition Metal Compounds: Introduction to the Theory
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R1 , R2 , . 2). The exact solution of the Schr¨odinger equation allows one, in principle, to determine a priori all the properties of any polyatomic system and its behavior in different conditions. Note that in all cases when exact solutions of Eq. 5) have been obtained, they were in good agreement with the experimental data, and in many cases the results of calculation have an accuracy rivaling experiment. Role of Approximations In the early stages of development of quantum mechanics, the Schr¨odinger equation raised some hopes that it could describe the entire chemistry, rendering many experimental approaches unnecessary.