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arXiv:cond-mat/9603135 · Physical Review A

Partial densities of states, scattering matrices, and Green’s functions

V. Gasparian, Thomas Christen, M. Büttiker

Published Nov 1, 1996• 168 citations
arXivHTMLPDF

Abstract

The response of an arbitrary scattering problem to quasistatic perturbations in the scattering potential is naturally expressed in terms of a set of local partial densities of states and a set of sensitivities each associated with one element of the scattering matrix. We define the local partial densities of states and the sensitivities in terms of functional derivatives of the scattering matrix and discuss their relation to the Green's function. Certain combinations of the local partial densities of states represent the injectivity of a scattering channel into the system and the emissivity into a scattering channel. It is shown that the injectivities and emissivities are simply related to the absolute square of the scattering wave function. We discuss also the connection of the partial densities of states and the sensitivities to characteristic times. We apply these concepts to a \ensuremath{\delta} barrier and to the local Larmor clock. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physreva.54.4022

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The response of an arbitrary scattering problem to quasistatic perturbations in the scattering potential is naturally expressed in terms of a set of local partial densities of states and a set of sensitivities each associated with one element of the scattering matrix. We define the local partial densities of states and the sensitivities in terms of functional derivatives of the scattering matrix and discuss their relation to the Green's function. Certain combinations of the local partial densities of states represent the injectivity of a scattering channel into the system and the emissivity into a scattering channel. It is shown that the injectivities and emissivities are simply related to the absolute square of the scattering wave function. We discuss also the connection of the partial densities of states and the sensitivities to characteristic times. We apply these concepts to a \ensuremath{\delta} barrier and to the local Larmor clock. \textcopyright{} 1996 The American Physical Society.
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The use of Green's functions is valuable when solving problems in electrodynamics, solid-state physics, and many-body physics. However, its role in quantum mechanics is often limited to the context of scattering by a central force. This work shows how Green's functions can be used in other examples in quantum mechanics courses. In particular, we introduce time-independent Green's functions and the Dyson equation to solve problems with an external potential. We calculate the reflection and transmission coefficients of scattering by a Dirac delta barrier and the energy levels and local density of states of the infinite square well potential.
Perturbation expansions of the response function S(q,\ensuremath{\omega}) of a many-body system in orders of any chosen component of the Hamiltonian are obtained. The response S(q,\ensuremath{\omega}) describes the inclusive scattering of a projectile interacting weakly with a target, where q and \ensuremath{\omega} are the momentum and energy transfer. Each term of a given order is written as an expectation value of products of paired Green's functions representing each initial- and final-state effects. For several choices of the perturbing operator, close expressions are obtained for the first orders of these expansions. The resulting terms represent partial summations over the Gersch series, whose relation to Green's-function expansions is established. Also, they are finite for singular potentials and are useful in the asymptotic regime of large q. In this regime they can give the dominant contribution to the response and initial- and final-state interactions of the hit particle and other particles in the system may be fully accounted for. Contributions of the n-particle density matrix can be separated for some expansions. In particular, an expression for the complete two-body contribution involving the hit particle is given.
The paper considers the sensitivity of quantum dynamics systems with respect to parameters or features in the underlying Hamiltonians. The analysis allows for the calculation of the gradient of the wave function with respect to any well defined system parameters in the Hamiltonian. Differential sensitivity equations are derived from the Schrödinger equation and their solution is expressed in terms of a Green’s function. For scattering problems the necessary asymptotic Green’s function can be exclusively expressed in terms of the available solution to the original Schrödinger equation. Also considered are problems from time-dependent quantum mechanics. In this latter situation sensitivity theory allows for the calculation of gradients of the time evolution operator with respect to system parameters. The scattering formalism is illustrated with a study of the anisotropy coefficient sensitivity in the collision of an atom and a ridgid rotor. The time-dependent theory was applied to a collision-free molecular beam translating through a region of space containing electric and magnetic fields. This case examined the sensitivity of the molecular transition probabilities to field parameters. These brief examples serve to illustrate the potential usefulness of sensitivity analysis in quantum dynamics.
A self-contained discussion of integral equations of scattering is presented in the case of centrally symmetric potentials in one dimension, which will facilitate the understanding of more complex scattering integral equations in two and three dimensions. The present discussion illustrates in a simple fashion the concept of partial-wave decomposition, Green’s function, Lippmann–Schwinger integral equations of scattering for wave function and transition operator, optical theorem, and unitarity relation. We illustrate the present approach with a Dirac delta potential.
One-dimensional quantum scattering from a local potential barrier is considered. Analytical properties of the scattering amplitudes have been investigated by means of the integral equations equivalent to the Schrödinger equations. The transition and reflection amplitudes are expressed in terms of two complex functions of the incident energy, which are similar to the Jost function in partial-wave scattering. These functions are entire for finite-range potentials and meromorphic for exponentially decreasing potentials. The analytical properties result from the locality of the potential in the wave equation and represent the effect of causality in the time dependence of the scattering process.