How to do cyclic permutation on interatomic matrix elements?

Thread starter ck00
Start date Mar 25, 2013
Tags

Cyclic Elements Matrix Permutation

In summary, cyclic permutation in interatomic matrix elements involves rearranging the elements within a matrix by shifting them to the next position and the last element to the first position. It is important because it can reveal hidden symmetries and simplify calculations. This can be done by systematically shifting each element in the matrix and repeating the process until the desired number of cycles is achieved. Cyclic permutation has applications in materials science, molecular dynamics simulations, and quantum mechanical calculations. However, it can only be applied to matrices with specific structures and may not always provide significant insights or simplifications. Other methods may need to be used in certain cases.

Mar 25, 2013

ck00

For example, how to obtain E_(yz,xz)(l,m,n) from E_(xy,xz)(l,m,n)?

Physics news on Phys.org

Mar 26, 2013

DrDu

Science Advisor

What are l,m,n? How is the matrix element defined?

Related to How to do cyclic permutation on interatomic matrix elements?

1. What is cyclic permutation in interatomic matrix elements?

Cyclic permutation in interatomic matrix elements refers to the process of rearranging the order of the elements within a matrix by shifting each element to the next position, and the last element to the first position. This results in a new matrix with the same elements but in a different order.

2. Why is cyclic permutation important in interatomic matrix elements?

Cyclic permutation is important in interatomic matrix elements because it can reveal hidden symmetries and patterns within the matrix that may not be apparent in its original form. It is also a useful tool in matrix manipulation and can simplify calculations in certain applications.

3. How can cyclic permutation be performed on interatomic matrix elements?

Cyclic permutation can be performed by systematically shifting each element in the matrix to the next position, starting from the top left corner and moving towards the bottom right corner. The last element is then moved to the first position to complete the cycle. This process is repeated until the desired number of cycles is achieved.

4. What are the applications of cyclic permutation in interatomic matrix elements?

Cyclic permutation has various applications in the field of materials science, particularly in the study of crystals and crystal structures. It is also used in molecular dynamics simulations and quantum mechanical calculations to analyze and manipulate atomic interactions and properties.

5. Are there any limitations or drawbacks to using cyclic permutation in interatomic matrix elements?

While cyclic permutation can be a useful tool, it is important to note that it can only be applied to matrices with a specific structure and symmetry. In addition, it may not always provide significant insights or simplifications in certain cases, and other methods may need to be used to analyze interatomic matrix elements.