PHD → Quantum mechanics → Schrödinger Equation ↓
Time-dependent Schrödinger equation
Quantum mechanics is a fundamental theory in physics that describes the physical properties of nature on the scale of atoms and subatomic particles. One of the main formulas of quantum mechanics is the Schrödinger equation, developed by Erwin Schrödinger in the 1920s. This equation is a mathematical description of the quantum state of a system, and it sets the basis for understanding quantum phenomena.
Introduction to the Schrödinger equation
The Schrödinger equation can be thought of as a way to calculate the behavior of particles in quantum mechanics over time. There are two main forms of the Schrödinger equation: time-dependent and time-independent equations. Here, we focus on the time-dependent Schrödinger equation, which deals with the evolution of quantum states over time.
The math behind the equation
The time-dependent Schrödinger equation is expressed as:
iħ ∂ψ/∂t = Hψ
iħ ∂ψ/∂t = Hψ
In this equation:
- i is the imaginary unit, which satisfies ( i^2 = -1 ).
- ħ (h-bar) is the reduced Planck constant, which relates the energy of the photon to its frequency.
- ψ (psi) is the wave function, which contains all the information about the system.
- H is the Hamiltonian operator, which represents the total energy (kinetic + potential) of the system.
- ∂ψ/∂t denotes the partial derivative of ψ with respect to time.
The wave function ψ is central to quantum mechanics because it describes the state of a system. The square of its absolute value, ( |ψ(x, t)|^2 ), gives the probability density of finding a particle at position ( x ) and time ( t ).
Understanding the components
Hamiltonian operator
The Hamiltonian H is an operator that includes the kinetic and potential energy of the particle. For a single particle, the Hamiltonian is often written as:
H = - (ħ² / 2m) ∇² + V(x)
H = - (ħ² / 2m) ∇² + V(x)
Where:
- m is the mass of the particle.
- ∇² is the Laplace operator, which acts on the spatial coordinates of the wave function.
- V(x) is the potential energy function.
Wave function
Conceptually, the wave function can be viewed as an oscillating wave that carries information about the position, momentum, and energy of a particle. It does not provide a definite path as in classical mechanics, but rather provides a probability of where the particle might be at any given moment.
Above is a simple depiction of the wave function ψ(x, t) along a one-dimensional axis. The wave-like appearance is characteristic of quantum phenomena.
Solving the time-dependent Schrödinger equation
Solving the time-dependent Schrödinger equation involves determining how the wave function ψ evolves over time given the initial conditions and the potential energy landscape. For most practical purposes, especially in high dimensions or complex systems, numerical methods such as finite element methods are used to solve these equations.
Analytical solution in free space
In cases where there is no potential energy (i.e., free particles), the potential V(x) = 0, and the equation simplifies considerably. It becomes:
iħ ∂ψ/∂t = - (ħ² / 2m) ∇² ψ
iħ ∂ψ/∂t = - (ħ² / 2m) ∇² ψ
This can be solved using separation of variables, where the wave function ψ(x, t) is expressed as the product of a spatial component and a temporal component:
ψ(x, t) = φ(x)T(t)
ψ(x, t) = φ(x)T(t)
Substitution in the Schrödinger equation and separation of variables gives the solution for the free particle in terms of plane waves:
ψ(x, t) = A e^(i(kx - ωt))
ψ(x, t) = A e^(i(kx - ωt))
Where:
- A is the amplitude of the wave.
- k is the wave number, which is related to momentum.
- ω is the angular frequency, which is related to the energy of the particle.
Examples and applications
A particle in a box
Consider a particle confined in a one-dimensional box (or well) of length L and whose potential walls are infinitely high. In such a system, the particle is free to move around inside the box but cannot exist outside it.
There are marginal situations
- ψ(0, T) = 0
- ψ(l, t) = 0
The energy levels of the particle are quantized, and the wave functions are stationary waves:
ψ_n(x, t) = √(2/L) sin(nπx/L) e^(-iE_n t/ħ)
ψ_n(x, t) = √(2/L) sin(nπx/L) e^(-iE_n t/ħ)
where ( E_n = n²π²ħ²/(2mL²) ) are the quantized energy levels, and n is an integer.
Quantum Harmonic Oscillator
The quantum harmonic oscillator is another classic problem where the potential energy is ( V(x) = 1/2 mω²x² ). The time-dependent solution for this system involves Hermite polynomials and can be expressed as:
ψ_n(x, t) = N_n e^((-mωx²)/(2ħ)) H_n(√(mω/ħ) x) e^(-iE_n t/ħ)
ψ_n(x, t) = N_n e^((-mωx²)/(2ħ)) H_n(√(mω/ħ) x) e^(-iE_n t/ħ)
Where:
- N_n is a normalization factor.
- H_n is the Hermite polynomial.
- E_n are quantized energy levels.
Understanding such systems is important because they serve as models for a wide range of physical phenomena, including molecular vibrations and quantum field theory.
Conceptual shift in quantum mechanics
The implications of the time-dependent Schrödinger equation are very profound and represent a significant departure from the deterministic view of classical mechanics of particle motion. In quantum physics, deterministic trajectories are replaced by probabilistic outcomes.
The phenomenon of superposition, where a quantum system can exist in multiple states simultaneously, emerges from these foundations. For example, a particle described by a combination of wave functions can be in multiple energy states simultaneously, a phenomenon routinely demonstrated by experiments such as the double-slit experiment.
Conclusion
The time-dependent Schrödinger equation is integral to our understanding of quantum systems and describes how wave functions evolve over time. It bridges the gap between theoretical physics and experimental results by providing a comprehensive framework to study a variety of quantum phenomena.
This equation exemplifies the beautiful interrelationship between mathematics and nature, which remains fundamental to the exploration of modern physics, from quantum chemistry to cutting-edge research in quantum computing.