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International Journal of Quantum Chemistry

Time‐dependent variational principle in quantum field theory

R. Jackiw

Published Jan 1, 1980• 12 citations
Publisher

Abstract

Abstract This paper proposes a direct, quantum‐mechanical definition for Γ (effective action) using a two‐step procedure for applying the variational principle to time‐dependent quantum problems.
DOI
10.1002/qua.560170105

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S u m m a r y . A rigorous theory of variational principles in quantum mechanics is formulated. This result is obtained by generalizing the standard theory of the inverse problem of the variational cahmlus, according to new concepts of differentiability on complex Banach spaces. Our theory provides sound mathematical foundations to all known variational principles of quantum mechanics and a powerful tool to find new ones. As a simple application, we derive rigorously two variational principles for the time-dependent SchrSdinger equation: the conventional one, requiring both an initial and a final condition, and a new one, requiring an initial condition only.
An alternative form of the variational principle is set up by defining an action functional which takes explicit account of the time path and thus is different from that used traditionally in time-dependent density-functional theory. This has the attractive feature of not having the formal difficulties in defining the effective potential and the effective interaction as its functional derivatives. Also, the Berry phase, not explicitly found at first sight in a time-dependent density-functional theory, is shown to reside in this action functional. It lies buried as the sum over the individual phases of the occupied states associated with the time-dependent Kohn-Sham orbitals. Some recent work on superconductivity and ferroelectricity in the literature are cited as examples of the Berry-phase considerations developed here. \textcopyright{} 1996 The American Physical Society.
Components of a field function are functions of coordinates and time and satisfy some definite differential equations, which are called field equations. Field equations can be given a very general variational or Lagrangian form, if one accepts, that a field as the dynamic system must be characterized by a definite Lagrangian function. For a mechanical system this function is written down as the sum over all the material points of the system. For a continuous system like a wave field, Lagrangian function is expressed by the space integral from Lagrangian function density: L(t) = ∫ Ld3x. (4.1) However, the variational principle deals not with the Lagrangian function but with an action S obtained from it by means of integration over x0 = ct S = c ∫ L(t)dt. (4.2) Therefore, noncovariant expression (4.1) in Lagrangian formalism is in fact intermediate and it is sufficient to consider the Lagrangian function density L, which depends on the four space-time coordinates x in an implicit way. Hereinafter, we shall simply call L by the Lagrangian. Analogously, the Hamiltonian function density H will be named the Hamiltonian. The Lagrangian depends on components of a field wavefunction ψk and on their first derivatives with respect to the space-time coordinates ∂ψk/∂x ν . In so doing we assign the meaning of generalized field coordinates to ψk, and the meaning of generalized field velocities to ∂ψk/∂x ν . The demand of lacking derivatives with respect to field functions above the first order in the Lagrangian is caused by the following reason. Dynamics of all known quantum fields is described either by equations of the first or the second order. On the one hand, these equations follow from the principle of a least action: δS = 0, (4.3) and under action variation the order of derivatives, entering L, is raised by one. The Lagrangian must be a relativistically covariant quantity, namely, a relativistic scalar L′(x′) = L(x). Thanks to the invariance under the space-time translations, we conclude that the Lagrangian must not manifestly contain any space-time coordinates x. Since dynamical observables (four-dimensional vector of the energy-momentum, the moment of momentum tensor, and so on) are real quantities, then the Lagrangian must be also a real quantity. We shall also impose the locality condition on the Lagrangian, that is, we assume that the Lagrangian depends only on the state of fields in the infinitely small vicinity of the point Particles, Fields, and Quantum x. So: L(x) = L(ψk, ∂ψk ∂xν ) = L (ψk(x), ψk;ν (x)) . General variation of an action, related with varying both field wave functions and of integration domain boundaries, is equal to: δS = δ ∫ L(x)dx = ∫ L(x′)dx′ − ∫ L(x)dx, (4.4) where dx = dx0dr. For L′(x′) we have the expression: L′(x′) = L (ψ′k(x′), ψ′k;ν(x′)) = L(x) + δL(x) = L(x) + δL(x) + dLdxλ δxλ, (4.5) In Eq. (4.5) we denote a form variation of corresponding quantities by the symbol δ. This way δL(x) represents varying the Lagrangian only on the account of the variation of field functions and field function derivatives: δL(x) = ∂L ∂ψk δψk + ∂L ∂ψk;ν δψk;ν , (4.6) and δψk(x) does a variation of a field function form: δψk(x) = ψ ′ k(x) − ψk(x).