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大学院生量子力学量子散乱理論


Born approximation


The Born approximation is an essential concept in quantum scattering theory, which is a part of quantum mechanics. It allows physicists to analyze how particles such as electrons, photons, or neutrons scatter when they encounter potential barriers or other particles. This approximation is applicable not only in physics but also in fields such as chemistry and materials science.

To understand the Born approximation, we first need to be familiar with the basics of quantum scattering. Scattering theory deals with how particles, which can be thought of as wave packets, interact and are scattered from potential fields. At a basic level, the quantum behavior of particles is governed by the Schrödinger equation:

iħ ∂ψ/∂t = Hψ

Here, i is the imaginary unit, ħ is the reduced Planck constant, ψ is the wave function describing the probability amplitude of the particle's position, t is time, and H is the Hamiltonian operator of the system.

Scattering from potential

In quantum mechanics, when we consider the scattering of a particle by a potential V(r), we often solve the problem by considering the steady state solution of the Schrödinger equation:

(H₀ + V)ψ = Eψ

Where:

  • H₀ is the unaffected Hamiltonian.
  • V is the potential that causes scattering.
  • E is the energy eigenvalue.

The unaffected part H₀ describes the free particle, and its solution, the plane wave, is given by:

ψ₀(r) = e^(ik·r)

where k is the wave vector associated with the momentum p of the particle, by p = ħk.

When the potential V is introduced, it perturbs the system and we need a new wave function solution ψ that accounts for it.

Understanding the Born approximation

The Born approximation is a method for approximately solving the Schrödinger equation when the potential V is weak. It assumes that the scattered wave is much smaller than the incident wave, allowing us to treat V as a small disturbance.

The central idea is to express the total wave function ψ(r) as:

ψ(r) = ψ₀(r) + ψₑ(r)

Here, ψ₀(r) is the incident wave function, and ψₑ(r) represents the scattered part of the wave function.

The Born approximation provides a first-order solution to the scattered wave function ψₑ(r) using the Lippmann–Schwinger equation:

ψ(r) = ψ₀(r) + ∫ G(r, r')V(r')ψ(r') dr'

where G(r, r') is the Green's function describing the response of the system to a point source. In the Born approximation, we replace ψ(r') with ψ₀(r') in the integral, which simplifies the calculation.

Mathematical determination

Let us take a deeper look at the mathematical aspect of the Born approximation. The motivation arises because solving the full scattering equation is challenging when dealing with complex probabilities.

Green's function in three dimensions is given by:

G(r, r') = - (1/4π) e^(ik|r - r'|)/|r - r'|

The approximation for the potential term is obtained by inserting ψ(r') ≈ ψ₀(r'):

ψ(r) ≈ ψ₀(r) - (1/4π) ∫ e^(ik|r - r'|)/|r - r'| V(r') e^(ik·r') dr'

This is the elementary expression for the original Born approximation. The scattered wave is now an integration over the potential, modified by a phase factor depending on the incident wave.

Graphic illustration

To make this more clear, let us consider a simple diagram showing a potential field interacting with an incident wave.

Incident wave Potential V(r) Scattered wave

In the figure, the line on the left represents the incident wavefront, which interacts with the potential represented by the circle in the center. After the interaction, the wave scatters, creating new fronts on the right. This visualization helps us understand how the potential affects the wave function.

First Born approximation: a simplified approach

The Born approximation is particularly effective for problems where the potential V(r) is small. In this case, a first-order approximation of the scattered wave is sufficient to describe its behavior. It assumes that only the first-order terms in V(r) contribute significantly to the solution.

When we apply the Born approximation, the scattering amplitude f(k f, k i) is expressed as:

f(k f, k i) = - (m/2πħ²) ∫ e^(i(k f - k i)·r') V(r') dr'

Here:

  • k i and k f are the initial and final wave vectors, respectively.
  • m is the mass of the particle.
  • ħ is the decreasing Planck constant.

Note that the expression is the Fourier transform of the potential V(r), which shows how the different momentum components are scattered by the potential.

This simplicity is one reason why the first Born approximation is popular in practical applications, such as in atomic and molecular physics, where interaction potentials can often be treated as weak perturbations.

Limitations and validity of Born approximation

The primary limitation of the Born approximation is its assumption of weak scattering. In general, the method is expected to give accurate results when:

  • V(r) is small compared to the kinetic energy of the incident particle.
  • The wavelength of the incident particle is much larger than the range over which V(r) acts significantly.

However, this may fail for strong potentials or energies near scattering resonances, where higher-order disturbances become important, and thus multiple scattering events must be considered.

Applications of Born approximation

Despite its limitations, the Born approximation has been important in a variety of scientific fields:

  • Atomic and molecular physics: In calculations of scattering cross-sections and possible interactions between atoms and molecules.
  • Condensed matter physics: used in the analysis of electron-phonon interactions and impurity scattering in solids.
  • Optics: Used in the analysis of the scattering of light by small particles or rough surfaces.
  • Nuclear physics: Used in nuclear reaction calculations, especially for reactions involving neutrons.

The beauty of this approach lies in its ability to reduce complex quantum problems into manageable analytical forms, which can be evaluated relatively easily.

Worked example: scattering by a spherically symmetric potential

Let us consider a simple example involving scattering by a spherically symmetric potential V(r) = V₀ e^(-λr), where V₀ and λ are constants.

In the Born approximation the scattering amplitude f(k f, k i) becomes:

f(k f, k i) = - (mV₀/2πħ²) ∫ e^(i(k f - k i)·r) e^(-λr) dr

Using spherical symmetry, the integral simplifies in spherical coordinates:

f(q) = - (mV₀/ħ²) ∫₀^∞ 4π sin(qr)/qr e^(-λr) r dr

where q = |k f - k i| is the momentum transfer.

This integral, which is often found in scattering theory, can be evaluated using standard techniques, giving information about how the potential scatters the incident wave.

Conclusion

The Born approximation is an indispensable component of quantum scattering theory. Its strength is in providing a simple method to calculate scattering from weak potentials. Although it requires the validity of certain conditions, in situations where these conditions hold, the Born approximation provides an efficient and practical way to deal with complex quantum dynamical systems.

By iterating between intuitive and analytical calculations, physicists can take advantage of the Born approximation to probe and predict the behavior of interacting quantum systems, paving the way for advances in theoretical and applied physics.


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