The transformations of the type which convert an exponential into a Gaussian and vice-versa and their applications in various areas of many-body physics are discussed. A new and general method of obtaining such transformations is given using the method of moments. It is compared with other methods which could be employed to obtain such transformations. In atomic physics, we have shown how such transformations can be used to obtain electron interaction energy for the ground state of Helium and Wigner transform for the ground state of H atom. It is shown how to bring angular momentum operators to linear form so that one can use the usual property of rotation operator to calculate their matrix elements. A new way of calculating the approximate eigenvalues of a Hamiltonian is given which combines the variational principles with the principle of maximum entropy. The anharmonic oscillator Hamiltonian is used to illustrate this new method. An interesting aspect of these transformations is that one could combine them with other transformations like Grassmann integration to calculate quantities of physical interest in closed form. A general matrix element of the harmonic oscillator is given which can be used to calculate usual quantities like the trace and density matrix. Some future applications are also discussed.
The transformations of the type which convert an exponential into a Gaussian and vice-versa and their applications in various areas of many-body physics are discussed. A new and general method of obtaining such transformations is given using the method of moments. It is compared with other methods which could be employed to obtain such transformations. In atomic physics, we have shown how such transformations can be used to obtain electron interaction energy for the ground state of Helium and Wigner transform for the ground state of H atom. It is shown how to bring angular momentum operators to linear form so that one can use the usual property of rotation operator to calculate their matrix elements. A new way of calculating the approximate eigenvalues of a Hamiltonian is given which combines the variational principles with the principle of maximum entropy. The anharmonic oscillator Hamiltonian is used to illustrate this new method. An interesting aspect of these transformations is that one could combine them with other transformations like Grassmann integration to calculate quantities of physical interest in closed form. A general matrix element of the harmonic oscillator is given which can be used to calculate usual quantities like the trace and density matrix. Some future applications are also discussed.
Elementary parameter-differentiation techniques are developed to systematically derive a wide variety of operator identities, expansions, and solutions to differential equations of interest to quantum physics. The treatment is largely centered around a general closed formula for the derivative of an exponential operator with respect to a parameter. Derivations are given of the Baker-Campbell-Hausdorff formula and its dual, the Zassenhaus formula. The continuous analogs of these formulas which solve the differential equation dY(t)/dt = A(t) Y(t), the solutions of Magnus and Fer, respectively, are similarly derived in a recursive manner which manifestly displays the general repeated-commutator nature of these expansions and which is quite suitable for computer programming. An expansion recently obtained by Kumar and another new expansion are shown to be derivable from the Fer and Magnus solutions, respectively, in the same way. Useful similarity transformations involving linear combinations of elements of a Lie algebra are obtained. Some cases where the product eAeB can be written as a closed-form single exponential are considered which generalize results of Sack and of Weiss and Maradudin. Closed-form single-exponential solutions to the differential equation dY(t)/dt = A(t) Y(t) are obtained for two cases and compared with the corresponding multiple-exponential solutions of Wei and Norman. Normal ordering of operators is also treated and derivations, corollaries, or generalization of a number of known results are efficiently obtained. Higher derivatives of exponential and general operators are discussed by means of a formula due to Poincaré which is the operator analog of the Cauchy integral formula of complex variable theory. It is shown how results obtained by Aizu for matrix elements and traces of derivatives may be readily derived from the Poincaré formula. Some applications of the results of this paper to quantum statistics and to the Weyl prescription for converting a classical function to a quantum operator are given. A corollary to a theorem of Bloch is obtained which permits one to obtain harmonic-oscillator canonical-ensemble averages of general operators defined by the Weyl prescription. Solutions of the density-matrix equation are also discussed. It is shown that an initially canonical ensemble behaves as though its temperature remains constant with a ``canonical distribution'' determined by a certain fictitious Hamiltonian.
The density matrix for a many-electron system has been examined. A formalism has been arrived at which facilitates its evaluation in terms of a basis corresponding to a discrete spectrum of eigenvalues. This allows a representation to be employed associated with a suitably chosen approximation to the Hamiltonian. Thereby, reasonably accurate estimates of the properties of many-electron systems may be anticipated for low orders of approximation.In developing the formalism, attention was focused upon a means for approximating the quantity exp(zH), where H is the many-particle Hamiltonian and z is a complex number. It was found possible to represent this quantity exactly as an infinite product of exponential factors, each of which depends upon a portion of the Hamiltonian alone. The relation of this result to statistical mechanical applications is indicated. An approximation procedure is described in terms of which various finite products of exponential factors approach the desired quantity in the limit of indefinitely increasing numbers of factors; this limit is approached in a manner that permits any given approximation to contain all the terms of the previous approximation.The first order of approximation was employed to approximate the many-particle density matrix. The resulting theory was applied to the helium-like systems: He, Li+, Be++. The energies of the ground 1S state of helium and the three lowest states of Li+ and Be++ were calculated. The agreement with experimental term values is reasonably satisfactory, the discrepancy between calculations and experiments not exceeding one percent. The triplet-singlet splitting for Li+ was in the order observed; the magnitude calculated was about one-half that observed.The relation between the present theory and the Thomas-Fermi theory is discussed. It is pointed out that the former is the analog of the latter when the density matrix is expressed in other than eigenfunctions of momentum. The quasi-classical character of the approximation is discussed.
While groups of point transformations such as rotations, translations and permutations have been extensively used in quantum mechanics, we cannot say the same of the more general groups of canonical transformations. To begin with, for the latter groups we have to determine their unitary representation in appropriate spaces. But once this is achieved canonical transformations can play as important a role in quantum mechanics as point transformations. We illustrate this in relation with the harmonic oscillator in one and many dimensions and for one and many particles. We show how radial matrix elements with respect to harmonic oscillator states can be determined group theoretically both in the Schroedinger and Heisenberg pictures. We discuss the application of canonical transformations to the three body nuclear problem. We briefly outline in the concluding section applications to Coulomb problems, many body systems, accidental degeneracy, and generalized integral transforms.
Abstract In Chapter 5 we considered the factorization of a radial Hamiltonian for a particle in a spherically symmetric potential which is independent of angular momentum. This factorization provides shift operators for energy and angular momentum in the eigenkets of the radial Hamiltonian for the oscillator and Coulomb potentials. These operators are linear functions of the momentum operator *p and they are also nonlinear functions of the position operator r: in the coordinate representation of wave mechanics they yield first-order differential operators. In this chapter we show that for the three-dimensional isotropic harmonic oscillator and the Coulomb potential, one can also construct shift operators for energy and angular momentum that are linear functions* of r and nonlinear functions of p. In the momentum representation of wave mechanics the shift operators yield first-order differential operators. Applications to the calculation of energy eigenvalues, matrix elements, and radial momentum-space wavefunctions are considered.
Two methods to calculate the density matrix of one• body or more•than•one•body which does not include the spurious center•of•mass excitation are presented.One is the method to calculate the density matrix for the many-body wave function of general type and the other is applicable to the case in which the center~of-mass motion separates from the internal motion and is in the (Os) orbit of harmonic oscillator.The applications of these methods are illustrated for some many-body wave function.§ 1. IntroductionTo represent the characteristic features of the many-body wave function of nuclei, the density matrices are often utilized.Experimentally, for example, in the electron scattering from nuclei, the nuclear structure is analyzed by the terms of the nuclear density and the current density, which are the special forms of the one-body density matrix.Theoretically, the one-body density matrix plays a crucial role in the current nuclear theories based on the mean field approximation, such as Hartree-Fock theory.And, in recent nuclear studies, interest is taken in not only the nuclear density which is the diagonal part of the one-body density matrix, but the non-local part of it.The non-local part of the one-body density matrix is often visualized with the use of the Wigner transform of it. 1),2)Especially, in the time-dependent Hartree-Fock theory, the Wigner transform of the one-body density matrix is interpreted as the classical distribution function and obeys the Vlasov equation approximately.3)These works clarify the importance of the non-local part of the one-body density matrix in the dynamics.Usually the spatial coordinate of the density matrix is measured from some spatially fixed origin.Due to the finiteness of the nuclear system, however, we need to measure the coordinate from the center of mass of the system; otherwise the spurious center-of-mass motion affects the density matrix.This effect of center-of-mass motion becomes important for light systems.For the diagonal part of the one-body transition density matrix, the effect of center-of-mass motion was discussed by Tassie and Barker for the case of harmonic oscillator shell mode1. 4) And for the diagonal part of the one-body density matrix in momentum representation, that is the nuclear momentum distribution, the effect of spurious center-of-mass motion has been discussed. 5) For the general non-local density matrix, however, there seems not to be presented any method to treat the spurious center-of-mass effect.In this paper, we present two methods to get the center-of-mass free density matrix.One is the method, applicable to the general wave function, which is especially suitable for the case where the wave function is a (linear superposition of) Slater determinant.The other is applicable to the cases in which the center-of-mass motion separates from other internal motions and is in the (Os) orbit of harmonic oscillator.For such wave functions, the latter method is more easy to calculate though the former method is also applicable.