Abstract Chapter 4 introduces the Schwinger Action Principle, along with associated particle and potential sources. While the methods described here originally arose in the relativistic quantum field theory of elementary particle physics, they have also profoundly advanced our understanding of non-relativistic many-particle physics. The Schwinger Action Principle is a quantum-mechanical variational principle that closely parallels the Hamilton Principle of Least Action of classical mechanics, generalizing it to include the role of quantum operators as generalized coordinates and momenta. As such, it unifies all aspects of quantum theory, incorporating Hamilton equations of motion for those operators and the Heisenberg equation, as well as producing the canonical equal-time commutation/anticommutation relations. It yields dynamical coupled field equations for the creation and annihilation operators of the interacting many-body system by variational differentiation of the Hamiltonian with respect to the field operators. Also, equations for the development of matrix elements (underlying Green’s functions) are derived using variations with respect to particle and potential “sources” (and coupling strength). Variational calculus, involving impressed potentials, c-number coordinates and fields, also quantum operator coordinates and fields, is discussed in full detail. Attention is given to the introduction of fermion and boson particle sources and their use in variational calculus.
The use of variational principles as a calculational tool is reviewed, with special emphasis on methods for constructing such principles. In particular, it is shown that for a very wide class of problems it is possible to construct a variational principle (VP) for just about any given quantity
Q of interest, by routine procedures which do not require the exercise of ingenuity; the resultant VP will yield an estimate of
Q correct to second order whenever the quantities appearing in the VP are known to first order. The only significant requirement for application of the routine procedures is that the entities which enter into the definition of
Q be uniquely specified by a given set of equations; the equations may involve difference or differential or integral operators, they may be homogeneous or inhomogeneous, linear or nonlinear, self-adjoint or not, and they may or may not represent time-reversible systems. No numerical calculations are presented, but procedures for the construction of VP's are illustrated for numerous quantities
Q of physical interest, particularly those
Q arising in quantum-mechanical scattering and transition probability calculations. For pedagogical purposes VP's are also derived for several problems in classical and (simple) mathematical physics which the authors hope will prove instructive and perhaps even amusing. The quantum-mechanical quantities
Q whose VP's are examined include various matrix elements and the quantum-mechanical eigenfunctions themselves. Topics examined include some points which have not always been appreciated in the literature, such as the necessity for properly specifying the phase when complex eigenfunctions are involved, and the importance of avoiding, wherever possible, formulations requiring the inversion of singular operators. The basic element of the technique is the recognition that the defining equations of a system can be incorporated into the VP as constraints through the use of (generalized) Lagrange multipliers; these can be constants, scalar, vector, or tensor functions of one or more variables, operators, etc. In the typical problem, these Lagrange multipliers
L serve as a new set of adjoint functions or entities, and the construction of the VP simultaneously provides well-defined equations for the
L. Moreover, these
L often have ready physical significance themselves; for example, they often may be regarded as generalized Green's functions. The construction of the VP also readily yields so-called variational identities for the quantity
Q of interest; these identities give explicit (if formal) expressions for the error in the variational estimate of
Q. In some cases this error can be shown to have a definite sign, so that the VP actually is an extremum principle, that is, that it yields an upper or lower variational bound for
Q; however, our routine procedures for constructing VP's do not routinely yield extremum principles.
Despite the seminal connection between classical multiply periodic motion and Heisenberg matrix mechanics and the massive amount of work done on the associated problem of semiclassical Einstein-Brillouin-Keller (EBK) quantization of bound states, we show that there are, nevertheless, a number of previously unexploited aspects of this relationship that bear on the quantum-classical correspondence. In particular, we emphasize a quantum variational principle that implies the classical variational principle for invariant tori. We also expose the more indirect connection between commutation relations and quantization of action variables. In the special case of a one-dimensional system a different and succinct algebraic derivation of the WKB quantization rule for bound states is given. With the help of several standard models with one or two degrees of freedom, we then illustrate how the methods of Heisenberg matrix mechanics described in this paper may be used to obtain quantum solutions with a modest increase in effort compared to semiclassical calculations. We also describe and apply a method for obtaining leading quantum corrections to EBK results. Finally, we suggest several modified applications of EBK quantization. \textcopyright{} 1996 The American Physical Society.
Variational methods are of fundamental importance and widely used in theoretical physics, especially for strongly interacting systems. In this work, we present a set of variational equations of state (VES) for pure states of an interacting quantum Hamiltonian. The VES can be expressed in terms of the variation of the density operators or static correlation functions. We derive the algebraic relationship between a known pure state density matrix and its variation, and obtain the VES by applying this relation to the averaged Heisenberg-equations-of-motion for the exact density matrix. Additionally, we provide a direct expression of the VES in terms of correlation functions to make it computable. We present three nontrivial applications of the VES: a perturbation calculation of correlation functions of the transverse field Ising model in arbitrary spatial dimensions, a study of a longitudinal field perturbation to the one-dimensional transverse field Ising model at the critical point and variational calculation of magnetization and ground state energy of the two-dimensional spin-1/2 Heisenberg model on a square lattice. For the second one, our results not only recover the scaling limit, but also indicate the possibility of continuous tuning of the critical exponents by adjusting the longitudinal fields differently from the scaling limit. For the Heisenberg model, we obtained results numerically comparable to established results with simple calculations. The VES approach provides a powerful and versatile tool for studying interacting quantum systems.
For an anharmonic oscillator, it follows from the number of zeros of the exact wave functions as functions of the quantum number
n that the matrix elements $〈n|x|{n}^{\ensuremath{'}}〉$ and $〈n|p|{n}^{\ensuremath{'}}〉$ should be rapidly decreasing functions of $|n\ensuremath{-}{n}^{\ensuremath{'}}|$. Matrix elements of polynomials in
x and
p should therefore be well approximated by a finite number of terms in their sum-rule decomposition. From the matrix elements of the equations of motion for
x and for
p and of the commutator
∣x,p∣, one thereby obtains closed sets of nonlinear algebraic equations to characterize subspaces of the Hilbert space of exact eigenfunctions. The approximations are also derived from a novel variational principle, and numerous variant approximation schemes are suggested. Essentially exact numerical results are obtained and compared with previous work. The broad applicability of the techniques is emphasized.