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对于C2h对称的体系,我知道有ag,bg,au,bu四种不可约表示,但是在文献中我看到别人写的例如HOMO(4ag)和HOMO-1(3ag)和HOMO-2(2ag)和HOMO-4(2bu)那么这个括号中的4,2,3,2是从何处而来的的呢?
对于D3h对称的体系,我也能知道最基本的A1’,A2’,A1’’,A2’’,E’和E’’,那么在文中提及HOMO等占据轨道的时候,我该怎么表示呢?
D3h这个体系的占据轨道不可约表示如下:
Occupied (A2") (A1') (E") (E") (E') (E') (A1') (E') (E')
(A2") (A1') (E") (E") (E') (E') (E") (E") (E')
(E') (A1") (A2') (A2") (A1') (E") (E") (E') (E')
(A2") (E") (E") (A1') (E') (E') (E') (E') (A2')
(A1') (A2") (E') (E') (E") (E") (E") (E") (E')
(E') (A1') (A2") (A1") (A2') (A1') (E") (E") (E')
(E') (A2") (E") (E") (E') (E') (A1") (A2') (E')
(E') (E") (E") (A1') (A2") (E') (E') (E") (E")
(A1') (A2") (A1') (E") (E") (E') (E') (E') (E')
(A1") (E") (E") (A1') (E') (E') (A2') (A1') (A2")
(A2") (E') (E') (E') (E') (E") (E") (E") (E")
结构化学零基础,跪求高手指点!
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