A Closed Contour of Integration in Regge Calculus

The analytic structure of the Regge action on a cone in $d$ dimensions over a boundary of arbitrary topology is determined in simplicial minisuperspace. The minisuperspace is defined by the assignment of a single internal edge length to all 1-simplices emanating from the cone vertex, and a single boundary edge length to all 1-simplices lying on the boundary. The Regge action is analyzed in the space of complex edge lengths, and it is shown that there are three finite branch points in this complex plane. A closed contour of integration encircling the branch points is shown to yield a convergent real wave function. This closed contour can be deformed to a steepest descent contour for all sizes of the bounding universe. In general, the contour yields an oscillating wave function for universes of size greater than a critical value which depends on the topology of the bounding universe. For values less than the critical value the wave function exhibits exponential behaviour. It is shown that the critical value is positive for spherical topology in arbitrary dimensions. In three dimensions we compute the critical value for a boundary universe of arbitrary genus, while in four and five dimensions we study examples of product manifolds and connected sums.Comment: 16 pages, Latex, To appear in Gen. Rel. Gra

Ions in solution: Density Corrected Density Functional Theory (DC-DFT)

Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes of density functional theory calculations are significantly improved by using densities more accurate than the self-consistent densities. We discuss how to identify such cases, and how DC-DFT applies more generally. To illustrate, we calculate potential energy surfaces of HO$\cdot$Cl$^-$ and HO$\cdot$H$_2$O complexes using various common approximate functionals, with and without this density correction. Commonly used approximations yield wrongly shaped surfaces and/or incorrect minima when calculated self consistently, while yielding almost identical shapes and minima when density corrected. This improvement is retained even in the presence of implicit solvent

Effective Theories of Coupled Classical and Quantum Variables from Decoherent Histories: A New Approach to the Backreaction Problem

We use the decoherent histories approach to quantum theory to derive the form of an effective theory describing the coupling of classical and quantum variables. The derivation is carried out for a system consisting of a large particle coupled to a small particle with the important additional feature that the large particle is also coupled to a thermal environment producing the decoherence necessary for classicality. The effective theory is obtained by tracing out both the environment and the small particle variables. It consists of a formula for the probabilities of a set of histories of the large particle, and depends on the dynamics and initial quantum state of the small particle. It has the form of an almost classical particle coupled to a stochastic variable whose probabilities are determined by a formula very similar to that given by quantum measurement theory for continuous measurements of the small particle's position. The effective theory gives intuitively sensible answers when the small particle is in a superposition of localized states.Comment: 27 pages, plain Te

Complex lapse, complex action and path integrals

Imaginary time is often used in quantum tunnelling calculations. This article advocates a conceptually sounder alternative: complex lapse. In the ``3+1'' action for the Einstein gravitational field minimally coupled to a Klein-Gordon field, allowing the lapse function to be complex yields a complex action which generates both the usual Lorentzian theory and its Riemannian analogue, and in particular allows a change of signature between the two. The action and variational equations are manifestly well defined in the Hamiltonian representation, with the momentum fields consequently being complex. The complex action interpolates between the Lorentzian and Riemannian actions as they appear formally in the respective path integrals. Thus the complex-lapse theory provides a unified basis for a path-integral quantum theory of gravity involving both Lorentzian and Riemannian aspects. A major motivation is the quantum-tunnelling scenario for the origin of the universe. Taken as an explanation for the observed quantum tunnelling of particles, the complex-lapse theory determines that the argument of the lapse for the universe now is extremely small but negative.Comment: 12 pages, Te

Approximate Decoherence of Histories and 't Hooft's Deterministic Quantum Theory

This paper explores the possibility that an exactly decoherent set of histories may be constructed from an approximately decoherent set by small distortions of the operators characterizing the histories. In particular, for the case of histories of positions and momenta, this is achieved by doubling the set of operators and then finding, amongst this enlarged set, new position and momentum operators which commute, so decohere exactly, and which are ``close'' to the original operators. The enlarged, exactly decoherent, theory has the same classical dynamics as the original one, and coincides with the so-called deterministic quantum theories of the type recently studied by 't Hooft. These results suggest that the comparison of standard and deterministic quantum theories may provide an alternative method of characterizing emergent classicality. A side-product is the surprising result that histories of momenta in the quantum Brownian motion model (for the free particle in the high-temperature limit) are exactly decoherent.Comment: 41 pages, plain Te

Quantum cosmology of 5D non-compactified Kaluza-Klein theory

We study the quantum cosmology of a five dimensional non-compactified Kaluza-Klein theory where the 4D metric depends on the fifth coordinate, $x^4\equiv l$. This model is effectively equivalent to a 4D non-minimally coupled dilaton field in addition to matter generated on hypersurfaces l=constant by the extra coordinate dependence in the four-dimensional metric. We show that the Vilenkin wave function of the universe is more convenient for this model as it predicts a new-born 4D universe on the $l\simeq0$ constant hypersurface.Comment: 14 pages, LaTe

Quantum cosmology with a curvature squared action

The correct quantum description for a curvature squared term in the action can be obtained by casting the action in the canonical form with the introduction of a variable which is the negative of the first derivative of the field variable appearing in the action, only after removing the total derivative terms from the action. We present the Wheeler-DeWitt equation and obtain the expression for the probability density and current density from the equation of continuity. Furthermore, in the weak energy limit we obtain the classical Einstein equation. Finally we present a solution of the wave equation.Comment: 8 pages, revte

On the interpretation of time-reparametrization-invariant quantum mechanics

The classical and quantum dynamics of simple time-reparametrization- invariant models containing two degrees of freedom are studied in detail. Elimination of one ``clock'' variable through the Hamiltonian constraint leads to a description of time evolution for the remaining variable which is essentially equivalent to the standard quantum mechanics of an unconstrained system. In contrast to a similar proposal of Rovelli, evolution is with respect to the geometrical proper time, and the Heisenberg equation of motion is exact. The possibility of a ``test clock'', which would reveal time evolution while contributing negligibly to the Hamiltonian constraint is examined, and found to be viable in the semiclassical limit of large quantum numbers.Comment: 13 pages, set in REVTeX. One figure available by FAX from [email protected]

Quantum-Mechanical Histories and the Uncertainty Principle. II. Fluctuations About Classical Predictability

This paper is concerned with two questions in the decoherent histories approach to quantum mechanics: the emergence of approximate classical predictability, and the fluctuations about it necessitated by the uncertainty principle. We consider histories characterized by position samplings at $n$ moments of time. We use this to construct a probability distribution on the value of (discrete approximations to) the field equations, $F = m \ddot x + V'(x)$, at $n-2$ times. We find that it is peaked around $F=0$; thus classical correlations are exhibited. We show that the width of the peak $\Delta F$ is largely independent of the initial state and the uncertainty principle takes the form $2 \sigma^2 \ (\Delta F)^2 \ge { \hbar^2 / t^2 }$, where $\sigma$ is the width of the position samplings, and $t$ is the timescale between projections. We determine the modifications to this result when the system is coupled to a thermal environment. We show that the thermal fluctuations become comparable with the quantum fluctuations under the same conditions that decoherence effects come into play. We also study an alternative measure of classical correlations, namely the conditional probability of finding a sequence of position samplings, given that particular initial phase space data have occurred. We use these results to address the issue of the formal interpretation of the probabilities for sequences of position samplings in the decoherent histories approach to quantum mechanics. The decoherence of the histories is also briefly discussed.Comment: 40 pages (plain Tex), Imperial College Preprin

Chern-Simons functional and the no-boundary proposal in Bianchi IX quantum cosmology

The Chern-Simons functional $S_{\rm CS}$ is an exact solution to the Ashtekar-Hamilton-Jacobi equation of general relativity with a nonzero cosmological constant. In this paper we consider $S_{\rm CS}$ in Bianchi type IX cosmology with $S^3$ spatial surfaces. We show that among the classical solutions generated by~$S_{\rm CS}$, there is a two-parameter family of Euclidean spacetimes that have a regular NUT-type closing. When two of the three scale factors are equal, these spacetimes reduce to a one-parameter family within the Euclidean Taub-NUT-de~Sitter metrics. For a nonzero cosmological constant, $\exp(iS_{\rm CS})$ therefore provides a semiclassical estimate to the Bianchi~IX no-boundary wave function in Ashtekar's variables.Comment: 9 pages, REVTeX v3.0. (One reference added.