摘要
本文简要的论述了氢分子基态和推斥态波函数(ψ_Ⅰ、ψ_Ⅱ)是氢分子薛定谔(E.Schr?dinger)方程的两个近似解。泡利(W.Pauli)原理说明:氢分子中两个氢原子的电子自旋方向相反时,必须与ψ_Ⅰ结合,构成反对称的完全波函数;两电子自旋方向相同时,则必须与ψ_Ⅱ结合,以构成反对称的完全波函数。前者,主要因产生“量子力学的力”使两个氢原子结合成键;后者,由于自旋方向相同的电子间产生“泡利斥力”,使其波函数重叠相减、不能成键。因此,氢分子的薛定谔方程的推斥态的解是由于电子自旋方向相同引起的,不是原子中电子轨道波函数本身符号相异而引起的。
This Paper consisely discussed that wave founction (ψ_Ⅰ. ψ_Ⅱ) of hydrogen molecuar ground state and repulsive state is two approximation solution of hydrogen molecular Schrodinger equation.According to Pauli principle two hydrogen atomic electrons of hydrogen molecule spining in the opposite direction must becombined with ψ_Ⅰ to form antisymmetric complete wave function. The formermakes the two hydrogen atoms combined to bond chiefly by producing 'the forceof quantum mechanics', the latter can not make them combined to bondbecause of the'Pauli repellingf orce' produced between the two electrons spiningin the same direction, so as to make their wave functions overlap and reduce.Therefore the solution of the repulsive state of Schrodinger equation of hydrogenmolecule is caused by the spins of electrons in the same direction,but not by theopposite sign of wave function of electric orbital in atoms.
关键词
共价键理论
电子自旋
氢自旋函数
covalent bond theory
hydrogen molecule Heitler--London treatment
spin functions of hydrogen
