How to choose the number of particles per site in Fermionic DMRG?

In summary, the optimal number of particles per site for Fermionic DMRG calculations varies depending on the system being studied. It is recommended to use an odd number of particles per site to avoid degeneracy issues and minimize entanglement and truncation errors. Increasing the number of particles per site can lead to more accurate results, but also increases computational cost. There is no universal method for determining the optimal number, but it is recommended to start with a small number and gradually increase it. The number of particles per site can be changed during a calculation, but should be done carefully. Using a larger number of particles per site can lead to faster convergence, but it is important to balance with desired accuracy and available computational resources.
  • #1
Luqman Saleem
18
3
I am doing DMRG (in traditional formalism, not MPS) for Hubbard model
H = -t ∑iσci,σ ci+1,σ + U∑ini,σni,σ-
In every iteration we add two sites to the system, but how do we set that how many particles are allowed in the system?
 
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  • #2
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1. How does the number of particles per site affect the accuracy of Fermionic DMRG calculations?

The number of particles per site is a crucial parameter in Fermionic DMRG calculations as it directly affects the accuracy of the results. In general, a larger number of particles per site will lead to more accurate results, but it also increases the computational cost and time required for the calculation.

2. What is the recommended range for the number of particles per site in Fermionic DMRG?

The recommended range for the number of particles per site in Fermionic DMRG is typically between 1 and 4. This range balances the accuracy of the results with the computational cost, and it has been found to provide reliable results for a wide range of systems.

3. How does the number of particles per site affect the convergence of Fermionic DMRG calculations?

The number of particles per site can significantly impact the convergence of Fermionic DMRG calculations. In general, a larger number of particles per site will lead to slower convergence, as the Hilbert space grows exponentially with the number of particles. It is essential to carefully choose this parameter to ensure efficient convergence of the calculation.

4. Can the number of particles per site be changed during a Fermionic DMRG calculation?

Yes, it is possible to change the number of particles per site during a Fermionic DMRG calculation. This can be useful in cases where the initial guess for the number of particles per site was not optimal, or if the system being studied undergoes a phase transition that requires a different number of particles per site.

5. Are there any guidelines for choosing the number of particles per site in specific systems?

There are no specific guidelines for choosing the number of particles per site in Fermionic DMRG calculations for specific systems. However, it is recommended to perform convergence tests with different numbers of particles per site to determine the optimal value for a particular system. Additionally, the choice of this parameter may also depend on the physical properties of the system being studied.

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