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用密度泛函理论论证了原子价层轨道能与元素电负性之间的密切关系,说明如何用原子价层轨道能对元素电负性的概念进行解释,从而使周期表中元素电负性更容易被理解和计算。
Density functional theory is used to demonstrate the close relationship between atomic valence orbital energy and element electronegativity, and to explain how to explain the concept of electronegativity of elements using atomic valence orbitals, so that the electronegativity of elements in the periodic table Easier to understand and calculate.