مصادر الكيمياء موقع لتعليم الكيمياء بصورة مبسطة
A method of calculating atomic and molecular structure directly from the first principles of quantum mechanics, without using quantities derived from experiment (such as ionization energies found by spectroscopy) as parameters. Ab-initio calculations require a large amount of numerical computation; the amount of computing time required increases rapidly as the size …
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