Numerical solution to Schrödinger equation - eigenvalues

In summary, Numerov's method, specifically the Numerov-Cooley method, can be used to solve the Schrödinger equation for the Woods-Saxon Potential and find the energy eigenvalues and eigenfunctions. This method involves guessing the eigenenergy and iteratively integrating the wave function to the midpoint, using the difference in first derivatives to calculate a correction to the energy until the first derivatives are equal. This can result in multiple possible solutions, but only one is physically valid with proper boundary conditions.
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CINA
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Not sure whether to post this here or in QM: I trying to numerically solve the Schrödinger equation for the Woods-Saxon Potential and find the energy eigenvalues and eigenfucnctions but I am confused about how exactly the eigenvalues come about. I've solved some differential equations in the past using the Runge–Kutta method, but nothing with eigenvalues. From what I've seen Numerov's method is the way to solve Schrödinger's equation but I don't see how solutions that gives the energy eigenvalues or eigenfunctions. Wouldn't numerically solving the DE just give one solution? I seen some mention of "tridiagonal matrices" being generated somehow, but am not sure what the elements of that matrix would be. Any help would be appreciated.

Thanks
 
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  • #2
CINA said:
Not sure whether to post this here or in QM: I trying to numerically solve the Schrödinger equation for the Woods-Saxon Potential and find the energy eigenvalues and eigenfucnctions but I am confused about how exactly the eigenvalues come about. I've solved some differential equations in the past using the Runge–Kutta method, but nothing with eigenvalues. From what I've seen Numerov's method is the way to solve Schrödinger's equation but I don't see how solutions that gives the energy eigenvalues or eigenfunctions. Wouldn't numerically solving the DE just give one solution? I seen some mention of "tridiagonal matrices" being generated somehow, but am not sure what the elements of that matrix would be. Any help would be appreciated.

Thanks

Numerov-Cooley (or Cooley Numerov) method is an iterative method to numerically solve the Schrodinger equation.

You guess the eigenenergy, forward and backward integrate the wave fnction to the midpoint, and compare first derivatives. In Cooley's implementation, the difference in first derivatives is used to calculate a correction to the energy. You redo the process until the first derivatives are "the same," going forward and backward. For most systems, there are many solutions possible [ e.g. harmonic oscillator, infinite solutions with E = (n+1/2) E_0 (n= 0, 1, 2, ...) ]
 

What is the Schrödinger equation?

The Schrödinger equation is a fundamental equation in quantum mechanics that describes the time evolution of a quantum system. It is named after physicist Erwin Schrödinger and is used to calculate the wave function of a particle.

What is numerical solution to the Schrödinger equation?

Numerical solution to the Schrödinger equation is a method for solving the equation using computational techniques. It involves discretizing the equation into a set of equations that can be solved using numerical algorithms, such as finite difference or finite element methods.

What are eigenvalues in the context of the Schrödinger equation?

Eigenvalues in the context of the Schrödinger equation refer to the possible energy states of a quantum system. They are the values that satisfy the equation and correspond to the different energy levels that a particle can have in a given potential.

Why is numerical solution to the Schrödinger equation important?

Numerical solution to the Schrödinger equation is important because it allows us to accurately calculate the behavior of quantum systems. This is crucial in fields such as quantum chemistry and materials science, where understanding the behavior of particles at the quantum level is necessary for designing new materials and drugs.

What are some common techniques used for numerical solution to the Schrödinger equation?

Some common techniques used for numerical solution to the Schrödinger equation include finite difference methods, finite element methods, and variational methods. Each of these techniques has its own advantages and limitations, and the choice of method depends on the specific problem being solved.

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