- #1

anahita

- 39

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Dear forum people

I consider four atomic orbitals of the silicon atom: s, px , py and pz , thus Hi,j is a 4*4 matrix.

Hi,i is the expression of the diagonal matrix and Hi,j is the expression off-diagonal matrix where the expression for Hi,i and Hi,j is attached.

But I can not calculate the cosine of direction.

Who can help me find the cosine of direction?

I consider four atomic orbitals of the silicon atom: s, px , py and pz , thus Hi,j is a 4*4 matrix.

Hi,i is the expression of the diagonal matrix and Hi,j is the expression off-diagonal matrix where the expression for Hi,i and Hi,j is attached.

But I can not calculate the cosine of direction.

Who can help me find the cosine of direction?