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.
If we overlay what the actual molecular orbital is on top of it, what you see is that in the center you end up cancelling out the wave function entirely.
如果我们把真实的分子轨道覆盖在上面,你可以看到中间的,波函数是完全抵消掉了。
And again, I want to point out that a molecular orbital, we can also call that a wave function, they're the same thing.
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。
What we are going to say is that the wavefunction for molecular orbitals is going to be an additive sum of the wavefunctions of atomic orbitals.
我想说的是,分子轨道的波函数,就是多个原子轨道,波函数的线性叠加。
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