Secular Approximation of Dipole-Dipole Hamiltonian

In summary, vanhees71 is looking for a derivation of the secular approximation of the dipole-dipole Hamiltonian at high magnetic fields. He is looking for a reference with a comprehensive derivation or can even provide it here.
  • #1
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Derivation of the secular approximation of the dipole-dipole-Hamiltonian
Hey folks,

I'm looking for a derivation of the secular approximation of the dipole-dipole Hamiltonian at high magnetic fields. Does anybody know a reference with a comprehensive derivation or can even provide it here?

Given we have the dipolar alphabet, I'd like to understand (in the best case using equations), why only the term A is relevant in every case, term B is relevant for like-spins (and can be dropped for unlike spins), while terms C-F can be always dropped. I know that there are qualitative descriptions of the approximation, I couldn't find but any rigorous derivation (e.g. showing that only I_z commutes with the Zeeman-Hamiltonian).

I'm looking fowrads to your suggestions and your help!
Thanks a lot!
 
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  • #2
First of all you have to formulate your problem in a concise way. That's often more than half towards its solution. How do you think should we know, what you mean by terms A-F if you don't clearly define them? Which book/paper are you looking at?
 
  • #3
Dear vanhees71,

Thanks for the quick answer, and sorry for the brevity. I thought my question was just trivial for the experts out here^^ Please find some more details below. The infos that I have so far have been taken from (see page 63 therein): https://www.google.de/books/edition...ance+and+its+applications&printsec=frontcover

The dipolar Hamiltonian for two electrons given in the form of the dipolar alphabet with the terms A-F is
DipolarAlphabet.png

Therein, SA and SB are the spin operators of electrons A and B; x, y, and z refer to the cartesian coordinates; S+ and S- are the raising and lowering operators, respectively. gA and gB are the g-factors of electrons A and B, βe is Bohr's magneton, µ0 is the magnetic field constant, and ħ is the reduced Planck-constant. A complete derivation of these equations can be found, e.g., here:

A is called the secular term, B the pseudo-secular term, and C-F are non-secular terms. The following considerations hold true at high magnetic fields, i.e. if the Zeeman-interaction energy is much larger than the dipolar coupling energy. According to the literature (for reference, see above), A is always of relevance as it commutes with the Zeeman Hamiltonian (that's what I'd like to show somehow). B is of relevance for "like"-spins (i.e. electrons with identical g-values) but can be dropped for "unlike"-spins (i.e. different g-values); also here, B seems to commute with the Zeeman-Hamiltonian for "like"-spins, but not for "unlike"-spins. C-F are non-secular and thus do not commute with the Zeeman-Hamiltonian.

Any help in showing that A is secular, B is pseudo-secular, and C-F are non-secular is very much appreciated!
Thank you!
 

FAQ: Secular Approximation of Dipole-Dipole Hamiltonian

What is the "Secular Approximation of Dipole-Dipole Hamiltonian"?

The secular approximation of dipole-dipole Hamiltonian is a mathematical method used to simplify the calculation of the energy levels and transition probabilities of a system of interacting dipole moments. It is commonly used in the study of atomic and molecular physics.

How does the secular approximation work?

The secular approximation works by neglecting the off-diagonal elements of the dipole-dipole Hamiltonian matrix, which represent the interactions between different dipole moments. This simplification allows for a more efficient calculation of the energy levels and transition probabilities of the system.

What are the benefits of using the secular approximation?

The secular approximation is beneficial because it reduces the complexity of the calculations involved in studying dipole-dipole interactions, making it easier to analyze and understand the behavior of the system. It also allows for a more accurate prediction of energy levels and transition probabilities compared to other approximation methods.

What are the limitations of the secular approximation?

One limitation of the secular approximation is that it can only be applied to systems with weak dipole-dipole interactions. It also neglects the effects of higher order terms in the Hamiltonian, which may be important in certain cases. Additionally, the accuracy of the results may decrease as the number of interacting dipole moments increases.

How is the secular approximation used in research?

The secular approximation is commonly used in theoretical and computational studies of atomic and molecular systems. It allows researchers to analyze the behavior of dipole-dipole interactions and make predictions about the energy levels and transition probabilities of the system. It is also used to guide experimental design and interpretation of results in fields such as spectroscopy and quantum chemistry.

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