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一、引言在“试论共振论的量子力学基础”一文中,作者曾利用线性变分法证明:当分子具有二种或更多可能的较稳定的电子结构式时,则有ψ(?)aψⅠ+bψⅡ+……(1)a/b=△_Ⅰ_ⅡW-H_(ⅠⅡ)/HⅡ-W=H_(ⅡⅡ)-W/△_(Ⅰ)_ⅡW-H_(ⅠⅡ) (2)此处H_(Ⅱ)和H_(ⅡⅡ)分别代表Ⅰ、Ⅱ式的能量,当H_(Ⅱ)和H_(ⅡⅡ)互相接近时,则实际分子对ψ_Ⅰ或ψⅡ有显著的偏离,其能量亦较古典式所预料者为低。离子键和共价键的过渡形态,是上述原理的一个特例。鲍林(L.Pauling)曾详细地研究了带有部分
I. INTRODUCTION In the article “On the Basis of Quantum Mechanics of Resonance Theory”, the author has used linear variational method to prove that when the molecule has two or more possible stable electronic structures, then ψ (?) AψI + bψⅡ + (1) a / b = △ _Ⅰ_ⅡW-H_ (ⅠⅡ) / HⅡ-W = H_ (ⅡⅡ) -W / △ _ (Ⅰ) _ⅡW-H_ (ⅠⅡ) ) And H Ⅱ (Ⅱ Ⅱ) represent the energies of Ⅰ and Ⅱ, respectively. When H Ⅱ and H Ⅱ are close to each other, the actual molecule deviates significantly from ψ Ⅰ or ψ Ⅱ, Low. The transitional form of ionic and covalent bonds is a special case of the above principle. Pauling (Paul) has studied in detail with some