Eigenvalue of the system and the one of its part

In summary, the conversation discusses the relationship between the eigenvalue of the system and the eigenvalues of its individual components. The APW method divides the space of the primitive cell into muffin-tin spheres and the interstitial region, and the eigenvalue and eigenfunction of the entire cell are determined by first assuming the eigenvalue of the MT spheres and then solving for the eigenvalue of the entire cell. This is done by substituting the eigenvalue into the secular determinant and simplifying the APW matrix elements. However, there is uncertainty about the physical meaning of this relationship and whether the eigenvalue of the cell actually belongs to the eigenvalue of the MT spheres or the IR and surface term. The role of the characteristic energy in solving
  • #1
Douasing
41
0
Dear all,
I have a problem about the eigenvalue of the system and the eigenvalue of the part of the system.
For example,in the theory of the APW method,the space of the primitive cell is divided into muffin-tin (MT) spheres and the interstitial region (IR). In order to gain the eigenvalue and the eigenfunction of the primitive cell,we usually assume the eigenvalue [itex]E^{'}[/itex] of MT ,then determine its eigenfunction ,and then we sovle the eigenvalue [itex]E[/itex] and eigenfunction of the entire primitive cell.
Here,the eigenvalue [itex]E[/itex] of the system must belong to the the eigenvalue [itex]E^{'}[/itex] of MT (it means [itex]E \subset E^{'}[/itex],mathematically),isn't it ? Can anyone explain the physical meaning of the relationship ?

Regards,

Douasing
 
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  • #2
To make it clearer,let us see the secular determinant as follows:
[tex]DET|H^{ij}+EΔ^{ij}+S^{ij}|=0[/tex] (1)
where [itex]E[/itex] is the variational energy of the cell (i.e.,the system above I mentioned). In order to determine [itex]E[/itex] , we usually consider (1) as the three terms in the following combinations:
[tex]H^{ij}_{I}+EΔ^{ij}_{I}[/tex] [tex]H^{ij}_{II}+EΔ^{ij}_{II}[/tex] [tex]S^{ij}[/tex] (2)
where,I stands for MT,II for IR,and S for the suface term.The first term of the (2) can be written as:
[tex]H^{ij}_{I}+EΔ^{ij}_{I}=(E^{'}-E)Δ^{ij}_{I}[/tex] (3)
In order to make this term zero and thus simplify the APW matrix elements, “it was originally proposed (J.C. Slater,1937) that the energy E' be taken to be the same as the characteristic energy which satisfies (1).” (Further details about the APW method may be found in the book by L.T. Loucks,1967)
——What does it mean ? In (1), the characteristic energy [itex]E[/itex] is unknown and is need to be solved, but how does [itex]E^{'}= E [/itex] in MT ?
On the other hand,the suitable trial wave function is determined through the radial Schrödinger quation. There,we must give the trial [itex]E^{'} [/itex] value,then the radial function is solved.But if we let [itex]E=E^{'} [/itex] in MT , why do we solve (1) ? Wouldn't be different between the [itex]E[/itex] in MT and [itex]E[/itex] in IR, so we only need to solve the equation
[tex]DET|H^{ij}_{II}+EΔ^{ij}_{II}+S^{ij}|=0[/tex] (4)
which usually appears in some literatures.Furthermore ,it seems that the eigenvalue of the cell belongs to the one of IR and the surface term which I mentioned above.
 
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What is an eigenvalue?

An eigenvalue is a scalar value that represents the amount by which a vector is scaled when it is multiplied by a matrix. It is a characteristic value of a matrix and is often used in linear algebra and systems analysis.

How is an eigenvalue calculated?

To calculate an eigenvalue, you first need to find the characteristic equation of a matrix. This is done by subtracting the identity matrix times a scalar from the original matrix. The eigenvalues are then the values of the scalar that make the determinant of the resulting matrix equal to zero.

What is the significance of eigenvalues in systems analysis?

Eigenvalues are important in systems analysis because they represent the stability and behavior of a system. The magnitude of the eigenvalues can indicate if a system is stable or unstable, and the sign of the eigenvalues can determine if a system is growing or decaying over time.

How does the eigenvalue of a system relate to the eigenvalue of its part?

The eigenvalue of a system is the combination of the eigenvalues of its individual parts. This means that the eigenvalues of the parts may affect the overall behavior and stability of the system. However, the overall eigenvalue may also differ from the individual eigenvalues due to interactions between the parts.

Can the eigenvalue of a system change?

Yes, the eigenvalue of a system can change if there are changes in the system's components or parameters. This can occur if there is a change in the values of the individual eigenvalues or if there are changes in the interactions between the parts of the system.

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