Entropy and Temperature of a Quantum Carnot Engine

It is possible to extract work from a quantum-mechanical system whose dynamics is governed by a time-dependent cyclic Hamiltonian. An energy bath is required to operate such a quantum engine in place of the heat bath used to run a conventional classical thermodynamic heat engine. The effect of the energy bath is to maintain the expectation value of the system Hamiltonian during an isoenergetic expansion. It is shown that the existence of such a bath leads to equilibrium quantum states that maximise the von Neumann entropy. Quantum analogues of certain thermodynamic relations are obtained that allow one to define the temperature of the energy bath.Comment: 4 pages, 1 figur

Unusual quantum states: nonlocality, entropy, Maxwell's daemon, and fractals

This paper analyses the mathematical properties of some unusual quantum states that are constructed by inserting an impenetrable barrier into a chamber confining a single particle.Comment: 9 Figure

Automatic Generation of Matrix Element Derivatives for Tight Binding Models

Tight binding (TB) models are one approach to the quantum mechanical many particle problem. An important role in TB models is played by hopping and overlap matrix elements between the orbitals on two atoms, which of course depend on the relative positions of the atoms involved. This dependence can be expressed with the help of Slater-Koster parameters, which are usually taken from tables. Recently, a way to generate these tables automatically was published. If TB approaches are applied to simulations of the dynamics of a system, also derivatives of matrix elements can appear. In this work we give general expressions for first and second derivatives of such matrix elements. Implemented in a computer program they obviate the need to type all the required derivatives of all occuring matrix elements by hand.Comment: 11 pages, 2 figure

Geometry of PT-symmetric quantum mechanics

Recently, much research has been carried out on Hamiltonians that are not Hermitian but are symmetric under space-time reflection, that is, Hamiltonians that exhibit PT symmetry. Investigations of the Sturm-Liouville eigenvalue problem associated with such Hamiltonians have shown that in many cases the entire energy spectrum is real and positive and that the eigenfunctions form an orthogonal and complete basis. Furthermore, the quantum theories determined by such Hamiltonians have been shown to be consistent in the sense that the probabilities are positive and the dynamical trajectories are unitary. However, the geometrical structures that underlie quantum theories formulated in terms of such Hamiltonians have hitherto not been fully understood. This paper studies in detail the geometric properties of a Hilbert space endowed with a parity structure and analyses the characteristics of a PT-symmetric Hamiltonian and its eigenstates. A canonical relationship between a PT-symmetric operator and a Hermitian operator is established. It is shown that the quadratic form corresponding to the parity operator, in particular, gives rise to a natural partition of the Hilbert space into two halves corresponding to states having positive and negative PT norm. The indefiniteness of the norm can be circumvented by introducing a symmetry operator C that defines a positive definite inner product by means of a CPT conjugation operation.Comment: 22 Page

Faster than Hermitian Quantum Mechanics

Given an initial quantum state |psi_I> and a final quantum state |psi_F> in a Hilbert space, there exist Hamiltonians H under which |psi_I> evolves into |psi_F>. Consider the following quantum brachistochrone problem: Subject to the constraint that the difference between the largest and smallest eigenvalues of H is held fixed, which H achieves this transformation in the least time tau? For Hermitian Hamiltonians tau has a nonzero lower bound. However, among non-Hermitian PT-symmetric Hamiltonians satisfying the same energy constraint, tau can be made arbitrarily small without violating the time-energy uncertainty principle. This is because for such Hamiltonians the path from |psi_I> to |psi_F> can be made short. The mechanism described here is similar to that in general relativity in which the distance between two space-time points can be made small if they are connected by a wormhole. This result may have applications in quantum computing.Comment: 4 page