同样，我要指出的是，一个分子轨道，我们也可以叫它波函数，这是一件事情。
And again, I want to point out that a molecular orbital, we can also call that a wave function, they're the same thing.
这对于分子也是一样，分子波函数就意味着分子轨道。
It's the same thing with molecules a molecular wave function just means a molecular orbital.
在计算中使用了一种新的试探函数，其行列式部分由以类氢函数为基的定域分子轨道组成。
A novel tri-al function has been employed in the calculation, its determinant being composed of the localized molecular orbitals on the basis of the hydrogen-like functions.
本文从氢的复函原子轨道出发，构造了氢分子的两类零级波函数集。
In this paper, two type of wave function of zeroth degree for hydrogen molecule are constructed, starting from atomic orbitals of hydrogen in complex form.
本文从氢的复函原子轨道出发，构造了氢分子的两类零级波函数集。
In this paper, two type of wave function of zeroth degree for hydrogen molecule are constructed, starting from atomic orbitals of hydrogen in complex form.
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