In general the Couloumbic potential of an electron in the field of the nucleus Z
· e is given by V(r) = −Ze²/(4peor) where r is the
distance between the electron and the nucleus (for H-atom Z = 1, for
He+ Z = 2, for Li++ Z=3, etc.). The
Schroedinger equation for an electron in central symmetrical field V(r) is
as follows:
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where µ is the reduced mass of nucleus-electron system, i.e. µ = mEmK/(mE+mK) with mE is the electron mass and mK is the nuclear mass. Now we would like to find possible solutions for y and the corresponding energy values so we can locate the electron. This can be used, for example, in the H-atom. Since we have a spherically symmetrical system, we will use polar coordinates to solve the above-mentioned equation. Only Δ is changed when tranforming to polar coordinates since potential V(r) has been already given in polar coordinates:
Δ = ∂²/∂x² + ∂²/∂y² + ∂²/∂z²
= 1/r² ∂/∂r(r² ∂/∂r) −1/r²h²L²
where operator L²(J,j) is the squared kinetic moment operator (L² = Lx²+ Ly²+ Lz²) in polar coordinates and depends not only on angles but also the radius r. The Schroedinger equation for an electron in the middle of a syymetrical field is given below in polar coordinates:
−h²/2µ.1/r².¶/¶r·(r²
¶/¶ry) +
V(r) y + 1/2µr²·L²(J,j) y = E y
L² = -
h² [1/sinJ¶/¶J(sinJ¶/¶J) + 1/sin²J¶²/¶j²]
As we did for a particle in three-dimensional well, we choose to seperate variables here: y(r,J,j) = R(r)·Y(J,j) because the squared kinetic moment operator L²(J,j) depends only on angles rather
than r. Substituting y = R·Y in the Schroedinger equation for an electron in
the center of the symmetrical field and then separating the equation
we obtain the following expression:
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(4) |
We have derived the eigenvalues and eigenfunctions for L² in the chapters devoted to kinetic
moment (derivation of kinetic moment eigenvalues, rotational energy and kinetic
moment eigenfunctions) we will now substitute them into our expression
and then obtain an ODE for the radial part of the wavefunction:
[− |
(5) |
We will talk about this ODE solution a bit later.
We will talk about wavefunctions Y(J,j) and kinetic moment eigenvalues in more detail in the next chapter.
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