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为了讨论问题简便起见,假定原子实中的电子与价电子问的排斥作用以及原子实的能量视为常数,在此前提下,给出任意一个原子A构型为a~mb~n的总能量表达式: E=(A,a~mb~n)=-mW(a)-nW(b)(m(m-1)/2)J(a,a)+mnJ(a,b)+(n(n-1)/2)J(b,b)……………………………………(1) 然后写出Sc~(2+),Sc~+和Sc等几个特例的能量表达式,代入有关能量项(来自于实验结果),从中得出原子轨道能和电子排斥能对原子(或离子)基态构型影响的一般规律。
To simplify the discussion of the problem, we assume that the repulsion of electrons and valence electrons in the atomic real and the energy of the atomic real are regarded as constants. Under this premise, we give the total energy of any atom A with the configuration a ~ mb ~ n Expression: E = (A, a ~ mb ~ n) = -mW (a) -nW (m (m- 1) / 2) J (a, a) + mnJ (a, b) + n (n-1) / 2) J (b, b) ................................. The energy expression of the special case is substituted into the related energy term (from the experimental result), and the general law of the influence of atomic orbital energy and electron exclusion on the ground state configuration of the atom (or ion) is deduced.