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Relativistic quantum mechanics

Quantum mechanics taking into account particles near or at the speed of light

  • 22 min read
  • 6 chapters

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Through Physics, Particle and Velocity

Key features common to all RQMs include: the prediction of antimatter, spin magnetic moments of elementary spin-1/2 fermions, fine structure, and quantum dynamics of charged particles in electromagnetic fields. The key result is the Dirac equation, from which these predictions emerge automatically. By contrast, in non-relativistic quantum mechanics, terms have to be introduced artificially into the Hamiltonian operator to achieve agreement with experimental observations.

The most successful (and most widely used) RQM is relativistic quantum field theory (QFT), in which elementary particles are interpreted as field quanta. A unique consequence of QFT that has been tested against other RQMs is the failure of conservation of particle number, for example, in matter creation and annihilation.

Paul Dirac's work between 1927 and 1933 shaped the synthesis of special relativity and quantum mechanics. His work was instrumental, as he formulated the Dirac equation and also originated quantum electrodynamics, both of which were successful in combining the two theories.

In this article, the equations are written in familiar 3D vector calculus notation and use hats for operators (not necessarily in the literature), and where space and time components can be collected, tensor index notation is shown also (frequently used in the literature), in addition the Einstein summation convention is used. SI units are used here; Gaussian units and natural units are common alternatives. All equations are in the position representation; for the momentum representation the equations have to be Fourier-transformed – see position and momentum space.

Combining special relativity and quantum mechanics

One approach is to modify the Schrödinger picture to be consistent with special relativity.

A postulate of quantum mechanics is that the time evolution of any quantum system is given by the Schrödinger equation:

iℏ∂∂tψ=H^ψ

using a suitable Hamiltonian operator Ĥ corresponding to the system. The solution is a complex-valued wavefunction ψ(r, t), a function of the 3D position vector r of the particle at time t, describing the behavior of the system.

Every particle has a non-negative spin quantum number s. The number 2s is an integer, odd for fermions and even for bosons. Each s has 2s + 1 z-projection quantum numbers; σ = s, s − 1, ... , −s + 1, −s. This is an additional discrete variable the wavefunction requires; ψ(r, t, σ).

Historically, in the early 1920s Pauli, Kronig, Uhlenbeck and Goudsmit were the first to propose the concept of spin. The inclusion of spin in the wavefunction incorporates the Pauli exclusion principle (1925) and the more general spin–statistics theorem (1939) due to Fierz, rederived by Pauli a year later. This is the explanation for a diverse range of subatomic particle behavior and phenomena: from the electronic configurations of atoms, nuclei (and therefore all elements on the periodic table and their chemistry), to the quark configurations and colour charge (hence the properties of baryons and mesons).

A fundamental prediction of special relativity is the relativistic energy–momentum relation; for a particle of rest mass m, and in a particular frame of reference with energy E and 3-momentum p with magnitude in terms of the dot product p=p⋅p, it is:

E2=c2p⋅p+(mc2)2.

These equations are used together with the energy and momentum operators, which are respectively:

E^=iℏ∂∂t,p^=−iℏ∇,

to construct a relativistic wave equation (RWE): a partial differential equation consistent with the energy–momentum relation, and is solved for ψ to predict the quantum dynamics of the particle. For space and time to be placed on equal footing, as in relativity, the orders of space and time partial derivatives should be equal, and ideally as low as possible, so that no initial values of the derivatives need to be specified. This is important for probability interpretations, exemplified below. The lowest possible order of any differential equation is the first (zeroth order derivatives would not form a differential equation).

The Heisenberg picture is another formulation of QM, in which case the wavefunction ψ is time-independent, and the operators A(t) contain the time dependence, governed by the equation of motion:

ddtA=1iℏ[A,H^]+∂∂tA,

This equation is also true in RQM, provided the Heisenberg operators are modified to be consistent with SR.

Historically, around 1926, Schrödinger and Heisenberg show that wave mechanics and matrix mechanics are equivalent, later furthered by Dirac using transformation theory.

A more modern approach to RWEs, first introduced during the time RWEs were developing for particles of any spin, is to apply representations of the Lorentz group.

Space and time

In classical mechanics and non-relativistic QM, time is an absolute quantity all observers and particles can always agree on, "ticking away" in the background independent of space. Thus in non-relativistic QM one has for a many particle system ψ(r1, r2, r3, ..., t, σ1, σ2, σ3...).

In relativistic mechanics, the spatial coordinates and coordinate time are not absolute; any two observers moving relative to each other can measure different locations and times of events. The position and time coordinates combine naturally into a four-dimensional spacetime position X = (ct, r) corresponding to events, and the energy and 3-momentum combine naturally into the four-momentum P = (E/c, p) of a dynamic particle, as measured in some reference frame, change according to a Lorentz transformation as one measures in a different frame boosted and/or rotated relative the original frame in consideration. The derivative operators, and hence the energy and 3-momentum operators, are also non-invariant and change under Lorentz transformations.

Under a proper orthochronous Lorentz transformation (r, t) → Λ(r, t) in Minkowski space, all one-particle quantum states ψσ locally transform under some representation D of the Lorentz group:

ψσ(r,t)→D(Λ)ψσ(Λ−1(r,t))

where D(Λ) is a finite-dimensional representation, in other words a (2s + 1) × (2s + 1) square matrix . Again, ψ is thought of as a column vector containing components with the (2s + 1) allowed values of σ. The quantum numbers s and σ as well as other labels, continuous or discrete, representing other quantum numbers are suppressed. One value of σ may occur more than once depending on the representation.

Non-relativistic and relativistic Hamiltonians

The classical Hamiltonian for a particle in a potential is the kinetic energy p·p/2m plus the potential energy V(r, t), with the corresponding quantum operator in the Schrödinger picture:

H^=p^⋅p^2m+V(r,t)

and substituting this into the above Schrödinger equation gives a non-relativistic QM equation for the wavefunction: the procedure is a straightforward substitution of a simple expression. By contrast this is not as easy in RQM; the energy–momentum equation is quadratic in energy and momentum leading to difficulties. Naively setting:

H^=E^=c2p^⋅p^+(mc2)2⇒iℏ∂∂tψ=c2p^⋅p^+(mc2)2ψ

is not helpful for several reasons. The square root of the operators cannot be used as it stands; it would have to be expanded in a power series before the momentum operator, raised to a power in each term, could act on ψ. As a result of the power series, the space and time derivatives are completely asymmetric: infinite-order in space derivatives but only first order in the time derivative, which is inelegant and unwieldy. Again, there is the problem of the non-invariance of the energy operator, equated to the square root which is also not invariant. Another problem, less obvious and more severe, is that it can be shown to be nonlocal and can even violate causality: if the particle is initially localized at a point r0 so that ψ(r0, t = 0) is finite and zero elsewhere, then at any later time the equation predicts delocalization ψ(r, t) ≠ 0 everywhere, even for |r| > ct which means the particle could arrive at a point before a pulse of light could. This would have to be remedied by the additional constraint ψ(|r| > ct, t) = 0.

There is also the problem of incorporating spin in the Hamiltonian, which isn't a prediction of the non-relativistic Schrödinger theory. Particles with spin have a corresponding spin magnetic moment quantized in units of μB, the Bohr magneton:

μ^S=−gμBℏS^,|μS|=−gμBσ,

where g is the (spin) g-factor for the particle, and S the spin operator, so they interact with electromagnetic fields. For a particle in an externally applied magnetic field B, the interaction term

H^B=−B⋅μ^S

has to be added to the above non-relativistic Hamiltonian. On the contrary; a relativistic Hamiltonian introduces spin automatically as a requirement of enforcing the relativistic energy-momentum relation.

Relativistic Hamiltonians are analogous to those of non-relativistic QM in the following respect; there are terms including rest mass and interaction terms with externally applied fields, similar to the classical potential energy term, as well as momentum terms like the classical kinetic energy term. A key difference is that relativistic Hamiltonians contain spin operators in the form of matrices, in which the matrix multiplication runs over the spin index σ, so in general a relativistic Hamiltonian:

H^=H^(r,t,p^,S^)

is a function of space, time, and the momentum and spin operators.

Klein–Gordon and Dirac equations for free particles

Substituting the energy and momentum operators directly into the energy–momentum relation may at first sight seem appealing, to obtain the Klein–Gordon equation:

E^2ψ=c2p^⋅p^ψ+(mc2)2ψ,

and was discovered by many people because of the straightforward way of obtaining it, notably by Schrödinger in 1925 before he found the non-relativistic equation named after him, and by Klein and Gordon in 1927, who included electromagnetic interactions in the equation. This is relativistically invariant, yet this equation alone isn't a sufficient foundation for RQM for at least two reasons: one is that negative-energy states are solutions, another is the density (given below), and this equation as it stands is only applicable to spinless particles. This equation can be factored into the form:

(E^−cα⋅p^−βmc2)(E^+cα⋅p^+βmc2)ψ=0,

where α = (α1, α2, α3) and β are not simply numbers or vectors, but 4 × 4 Hermitian matrices that are required to anticommute for i ≠ j:

αiβ=−βαi,αiαj=−αjαi,

and square to the identity matrix:

αi2=β2=I,

so that terms with mixed second-order derivatives cancel while the second-order derivatives purely in space and time remain. The first factor:

(E^−cα⋅p^−βmc2)ψ=0⇔H^=cα⋅p^+βmc2

is the Dirac equation. The other factor is also the Dirac equation, but for a particle of negative mass. Each factor is relativistically invariant. The reasoning can be done the other way round: propose the Hamiltonian in the above form, as Dirac did in 1928, then pre-multiply the equation by the other factor of operators E + cα · p + βmc2, and comparison with the KG equation determines the constraints on α and β. The positive mass equation can continue to be used without loss of continuity. The matrices multiplying ψ suggest it isn't a scalar wavefunction as permitted in the KG equation, but must instead be a four-component entity. The Dirac equation still predicts negative energy solutions, so Dirac postulated that negative energy states are always occupied, because according to the Pauli principle, electronic transitions from positive to negative energy levels in atoms would be forbidden. See Dirac sea for details.

Densities and currents

In non-relativistic quantum mechanics, the square modulus of the wavefunction ψ gives the probability density function ρ = |ψ|2. This is the Copenhagen interpretation, circa 1927. In RQM, while ψ(r, t) is a wavefunction, the probability interpretation is not the same as in non-relativistic QM. Some RWEs do not predict a probability density ρ or probability current j (really meaning probability current density) because they are not positive-definite functions of space and time. The Dirac equation does:

ρ=ψ†ψ,j=ψ†γ0γψ⇌Jμ=ψ†γ0γμψ

where the dagger denotes the Hermitian adjoint (authors usually write ψ = ψ†γ0 for the Dirac adjoint) and Jμ is the probability four-current, while the Klein–Gordon equation does not:

ρ=iℏ2mc2(ψ∗∂ψ∂t−ψ∂ψ∗∂t),j=−iℏ2m(ψ∗∇ψ−ψ∇ψ∗)⇌Jμ=iℏ2m(ψ∗∂μψ−ψ∂μψ∗)

where ∂μ is the four-gradient. Since the initial values of both ψ and ∂ψ/∂t may be freely chosen, the density can be negative.

Instead, what appears look at first sight a "probability density" and "probability current" has to be reinterpreted as charge density and current density when multiplied by electric charge. Then, the wavefunction ψ is not a wavefunction at all, but reinterpreted as a field. The density and current of electric charge always satisfy a continuity equation:

∂ρ∂t+∇⋅J=0⇌∂μJμ=0,

as charge is a conserved quantity. Probability density and current also satisfy a continuity equation because probability is conserved, however this is only possible in the absence of interactions.

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