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arXiv:1208.1425

Energy operator for non-relativistic and relativistic quantum mechanics revisited

J. A. Sánchez-Monroy, John Morales, Eduardo Zambrano

Published Aug 7, 2012• 1 citation
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Abstract

Hamiltonian operators are gauge dependent. For overcome this difficulty we reexamined the effect of a gauge transformation on Schrödinger and Dirac equations. We show that the gauge invariance of the operator $H-i\hbar\frac{\partial}{\partial t}$ provides a way to find the energy operator from first principles. In particular, when the system has stationary states the energy operator can be identified without ambiguities for non-relativistic and relativistic quantum mechanics. Finally, we examine other approaches finding that in the case in which the electromagnetic field is time independent, the energy operator obtained here is the same as one recently proposed by Chen et al. [1].

DOI
10.48550/arxiv.1208.1425

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Hamiltonian operators are gauge dependent. For overcome this difficulty we reexamined the effect of a gauge transformation on Schrödinger and Dirac equations. We show that the gauge invariance of the operator H−iℏ∂∂tH-i\hbar\frac{\partial}{\partial t}H−iℏ∂t∂​ provides a way to find the energy operator from first principles. In particular, when the system has stationary states the energy operator can be identified without ambiguities for non-relativistic and relativistic quantum mechanics. Finally, we examine other approaches finding that in the case in which the electromagnetic field is time independent, the energy operator obtained here is the same as one recently proposed by Chen et al. [1].
For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this puzzle was recently provided by us [X.-S. Chen et al., Phys. Rev. Lett. 100, 232002 (2008)]. Based on the separation of the electromagnetic potential into pure-gauge and gauge-invariant parts, we have proposed a new set of momentum and Hamiltonian operators which satisfy both the requirement of gauge invariance and the relevant commutation relations. In this paper we report a check for the case of the hydrogen-atom problem: Starting from the Hamiltonian of the coupled electron, proton, and electromagnetic field, under the infinite proton mass approximation, we derive the gauge-invariant hydrogen-atom Hamiltonian and verify explicitly that this Hamiltonian is different from the Dirac Hamiltonian, which is the time translation generator of the system. The gauge-invariant Hamiltonian is the energy operator, whose eigenvalue is the energy of the hydrogen atom. It is generally time dependent. In this case, one can solve the energy eigenvalue equation at any specific instant of time. It is shown that the energy eigenvalues are gauge independent, and by suitably choosing the phase factor of the time-dependent eigenfunction, one can ensure that the time-dependent eigenfunction satisfies the Dirac equation.
The Dirac equation for a charged particle in a time-dependent electromagnetic field is reduced to the Pauli equation in the non-relativistic limit by making a time-dependent Foldy-Wouthuysen transformation in a completely gauge-invariant way. In a time-dependent field, the expectation value of the Hamiltonian is dependent on the gauge, and so it cannot be the energy. The energy is obtained by taking the expectation value of the energy operator, the time rate of change of which is the average of the quantum mechanical power operator. The Hamiltonian formulation of a charged particle in a time-dependent external electromagnetic field is satisfactory when this distinction between the Hamiltonian, which describes the time evolution of the system, and the energy operator, which is gauge invariant, is made.
A system of nonrelativistic charged particles and radiation is canonically quantized in the Coulomb gauge and Maxwell's equations in quantum electrodynamics are derived. By requiring form invariance of the Schrodinger equation under a space and time dependent unitary transformation, operator gauge transformations on the quantized electromagnetic potentials and state vectors are introduced. These gauge transformed potentials have the same form as gauge transformations in non-Abelian gauge field theories. A gauge-invariant method for solving the time-dependent Schrodinger equation in quantum electrodynamics is given. Maxwell's equations are written in a form which holds in all gauges and which has formal similarity to the equations of motion of non-Abelian gauge fields. A gauge-invariant derivation of conservation of energy in quantum electrodynamics is given. An operator gauge transformation is made to the multipolar gauge in which the potentials are expressed in terms of the electromagnetic fields. The multipolar Hamiltonian is shown to be the minimally coupled Hamiltonian with the electromagnetic potentials in the multipolar gauge. The model of a charged harmonic oscillator in a single-mode electromagnetic field is considered as an example. The gauge-invariant procedure for solving the time-dependent Schrodinger equation is used to obtain the gauge-invariant probabilities that the oscillator is in an energy eigenstate For comparison, the conventional approach is also used to solve the harmonic oscillator problem and is shown to give gauge-dependent amplitudes.
After analyzing Dirac's equation, one can suggest that a well-known quantum-mechanical momentum operator is associated with relativistic momentum, rather than with non-relativistic one. Consideration of relativistic energy and momentum expressions allows us to define the non-relativistic, relativistic and pseudo-relativistic (present in Schrödinger equation) kinetic energy operators. Consequences of kinetic energy operator's correction for spectra of basic quantum Hamiltonians are investigated. In some cases this correction can produce remarkable spectra modifications.
The distinction between gauge independence and gauge covariance in electrodynamics is considered for quantities of physical interest. The gauge independence of directly observable quantities, such as the spectra of operators and energy conserving transition rates, is discussed and contrasted with the gauge covariance of other quantities such as scalar products. The quasigauge-invariance of the classical Lagrangian and the invariance of the Euler-Lagrange equations under the addition of a total time derivative to the Lagrangian are discussed. The consequent inherent nonuniqueness of the Lagrangian and Hamiltonian formulations of classical mechanics is pointed out. A physical interpretation of the explicit gauge dependence of classical canonical momenta and of the expectation values of the corresponding quantum mechanical operators is presented. The gauge independence of energy conserving transition rates calculated in the conventional finite-order time dependent perturbation theory is discussed and illustrated. The gauge dependence of the conventional time dependent transition amplitudes in the presence of electromagnetic fields is then discussed, and gauge independent transition amplitudes are constructed. An alternative formulation of the quantum mechanics of charged particles is obtained in terms of a new gauge independent Hamiltonian, which is, as might be expected, unique only within an arbitrary canonical transformation.
The purpose of this chapter is to introduce the Dirac equation, which will provide us with a basis for developing the relativistic quantum mechanics of electronic systems. Thus far we have reviewed some basic features of the classical relativistic theory, which is the foundation of relativistic quantum theory. As in the nonrelativistic case, quantum mechanical equations may be obtained from the classical relativistic particle equations by use of the correspondence principle, where we replace classical variables by operators. Of particular interest are the substitutions In terms of the momentum four-vector introduced earlier, this yields In going from a classical relativistic description to relativistic quantum mechanics, we require that the equations obtained are invariant under Lorentz transformations. Other basic requirements, such as gauge invariance, must also apply to the equations of relativistic quantum mechanics. We start this chapter by reexamining the quantization of the nonrelativistic Hamiltonian and draw out some features that will be useful in the quantization of the relativistic Hamiltonian. We then turn to the Dirac equation and sketch its derivation. We discuss some properties of the equation and its solutions, and show how going to the nonrelativistic limit reduces it to a Schrödinger-type equation containing spin.