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Wuhan University Journal

The Effective Hamiltonian of Open Quantum System and Several New Solvable Models

Zhen Zhang

Published Jan 1, 2002• 0 citations
OpenAlex

Abstract

A general expression of the effective hamiltonian for an open quantum mechanical system is derived and reexamined by means of the projection operator technique in an intuitive manner. In this method the full Hilbert space of the many particle systems is divided into two subspaces. In some new practicable models, the peak positions and widths of the energy spectra of the open systems are determined by evaluating the exact zeros of the corresponding characteristic polynomials.

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A general expression of the effective hamiltonian for an open quantum mechanical system is derived and reexamined by means of the projection operator technique in an intuitive manner. In this method the full Hilbert space of the many particle systems is divided into two subspaces. In some new practicable models, the peak positions and widths of the energy spectra of the open systems are determined by evaluating the exact zeros of the corresponding characteristic polynomials.
We derive the effective Hamiltonian H−μNH - μNH−μN for open quantum systems with varying particle number from first principles. Our derivation relies on the general postulates of quantum statistical mechanics and on some specific assumptions regarding the size of the open system and the range of the interaction with the reservoir. Within this model, we also show that the effective Hamiltonian is unique up to a constant. In the course of our argument, we establish a rigorous version of the surface-to-volume ratio approximation, which is routinely used in an empirical form in statistical physics, and we show that the Hilbert space for systems with varying particle number must be isomorphic to Fock space. Together, these findings establish a solid physico-mathematical model for open quantum systems with varying particle number.
The concept of an effective Hamiltonian in Fock space is introduced. It is based on the division of the entire one-particle space into subspaces of ‘‘active’’ and ‘‘inactive’’ orbitals. The effective Fock space Hamiltonian has—for active model states—the same eigenvalues as the full Hamiltonian. The theory outlined in this context differs from that of paper I mainly in a different definition of the ‘‘diagonal part’’ of an operator, and in the fact that the ‘‘quasidegenerate case’’ applies throughout. The separation theorem, and as a consequence the connected diagram theorem, is shown to hold, in a more limited sense though, even for those normalizations where it did not in the context of universal wave and energy operators. Unlike in the theory of the ‘‘universal’’ operators of paper I the Fock space and n-particle Hilbert space approaches with analogous normalizations are no longer equivalent. In particular, the Primas normalization with a fully Lie-algebraic structure does not lead to a connected diagram expansion if it is formulated in n-particle Hilbert space, only so in a Fock space formulation. In n-particle Hilbert space with the present definition of the diagonal part of an operator the normalizations b (‘‘canonical’’) and c (‘‘Primas’’) happen to agree. As an alternative to the construction of the wave and energy operator W and L by perturbation theory the nonperturbative approach is presented as a generalization of the coupled-cluster method, in detail both in the intermediate and in the unitary normalization. In the unitary variant only a linear system for σ (the logarithm of the wave operator) has to be solved in order to get L correct through fifth order in perturbation theory with important contributions of higher orders included. A generalization of the Hartree–Fock method to Fock space theory is outlined, which guarantees stationarity of all (active) eigenstates with respect to one-particle transformations. A generalized electron pair theory is also defined. An analysis of the necessary computational steps shows that the nonperturbative approaches do not require significantly more computational effort than perturbation theory to the corresponding order. As a numerical example the H2 molecule in a small basis is discussed.
A previously developed representation for many-atom problems is extended by incorporation of all effects of interatomic exchange of electrons and nuclei into a ``projected Hamiltonian.'' An expression for the projected Hamiltonian is derived which is exact on the two-atom subspace, and hence incorporates those exchange effects which are important at low densities. By the use of the center-of-mass separation of atomic wavefunctions, this expression for the projected Hamiltonian is transformed into a representation in terms of atomic field operators ψν(r) and ψν†(r), where r is the center-of-mass position of an atom and v stands for all of its internal quantum numbers.
Effective Hamiltonians governing the time evolution in a subspace of unstable states can be found using more or less accurate approximations. A convenient tool for deriving them is the evolution equation for a subspace of state space sometime called the Królikowski–Rzewuski (KR) equation. KR equation results from the Schrödinger equation for the total system under considerations. We will discuss properties of approximate effective Hamiltonians derived using KR equation for n-particle, two-particle and for one-particle subspaces. In a general case these effective Hamiltonians depend on time t. We show that at times much longer than times at which the exponential decay take place the real part of the exact effective Hamiltonian for the one-particle subsystem (that is the instantaneous energy) tends to the minimal energy of the total system when t → ∞ whereas the imaginary part of this effective Hamiltonian tends to zero as t → ∞.
The time-convolutionless (TCL) projection operator technique allows a systematic analysis of the non-Markovian quantum dynamics of open systems. We present a class of projection superoperators that project the states of the total system onto certain correlated system-environment states. It is shown that the application of the TCL technique to this class of correlated superoperators enables the nonperturbative treatment of the dynamics of system-environment models for which the standard approach fails in any finite order of the coupling strength. We demonstrate further that the correlated superoperators correspond to the idea of a best guess of conditional quantum expectations, which is determined by a suitable Hilbert-space average. The general approach is illustrated by means of the model of a spin that interacts through randomly distributed couplings with a finite reservoir consisting of two energy bands. Extensive numerical simulations of the full Schrödinger equation of the model reveal the power and efficiency of the method.