Conceptual Unification of Gravity and Quanta

We present a model unifying general relativity and quantum mechanics. The model is based on the (noncommutative) algebra \mbox{{\cal A}} on the groupoid \Gamma = E \times G where E is the total space of the frame bundle over spacetime, and G the Lorentz group. The differential geometry, based on derivations of \mbox{{\cal A}}, is constructed. The eigenvalue equation for the Einstein operator plays the role of the generalized Einstein's equation. The algebra \mbox{{\cal A}}, when suitably represented in a bundle of Hilbert spaces, is a von Neumann algebra \mathcal{M} of random operators representing the quantum sector of the model. The Tomita-Takesaki theorem allows us to define the dynamics of random operators which depends on the state \phi . The same state defines the noncommutative probability measure (in the sense of Voiculescu's free probability theory). Moreover, the state \phi satisfies the Kubo-Martin-Schwinger (KMS) condition, and can be interpreted as describing a generalized equilibrium state. By suitably averaging elements of the algebra \mbox{{\cal A}}, one recovers the standard geometry of spacetime. We show that any act of measurement, performed at a given spacetime point, makes the model to collapse to the standard quantum mechanics (on the group G). As an example we compute the noncommutative version of the closed Friedman world model. Generalized eigenvalues of the Einstein operator produce the correct components of the energy-momentum tensor. Dynamics of random operators does not ``feel'' singularities.Comment: 28 LaTex pages. Substantially enlarged version. Improved definition of generalized Einstein's field equation

Quantization of systems with temporally varying discretization I: Evolving Hilbert spaces

A temporally varying discretization often features in discrete gravitational systems and appears in lattice field theory models subject to a coarse graining or refining dynamics. To better understand such discretization changing dynamics in the quantum theory, an according formalism for constrained variational discrete systems is constructed. While the present manuscript focuses on global evolution moves and, for simplicity, restricts to Euclidean configuration spaces, a companion article discusses local evolution moves. In order to link the covariant and canonical picture, the dynamics of the quantum states is generated by propagators which satisfy the canonical constraints and are constructed using the action and group averaging projectors. This projector formalism offers a systematic method for tracing and regularizing divergences in the resulting state sums. Non-trivial coarse graining evolution moves lead to non-unitary, and thus irreversible, projections of physical Hilbert spaces and Dirac observables such that these concepts become evolution move dependent on temporally varying discretizations. The formalism is illustrated in a toy model mimicking a `creation from nothing'. Subtleties arising when applying such a formalism to quantum gravity models are discussed.Comment: 45 pages, 1 appendix, 6 figures (additional explanations, now matches published version

A global picture of quantum de Sitter space

Perturbative gravity about a de Sitter background motivates a global picture of quantum dynamics in `eternal de Sitter space,' the theory of states which are asymptotically de Sitter to both future and past. Eternal de Sitter physics is described by a finite dimensional Hilbert space in which each state is precisely invariant under the full de Sitter group. This resolves a previously-noted tension between de Sitter symmetry and finite entropy. Observables, implications for Boltzmann brains, and Poincare recurrences are briefly discussed.Comment: 17 pages, 1 figure. v2: minor changes, references added. v3: minor changes to correspond to PRD versio

Geometry of the ergodic quotient reveals coherent structures in flows

Dynamical systems that exhibit diverse behaviors can rarely be completely understood using a single approach. However, by identifying coherent structures in their state spaces, i.e., regions of uniform and simpler behavior, we could hope to study each of the structures separately and then form the understanding of the system as a whole. The method we present in this paper uses trajectory averages of scalar functions on the state space to: (a) identify invariant sets in the state space, (b) form coherent structures by aggregating invariant sets that are similar across multiple spatial scales. First, we construct the ergodic quotient, the object obtained by mapping trajectories to the space of trajectory averages of a function basis on the state space. Second, we endow the ergodic quotient with a metric structure that successfully captures how similar the invariant sets are in the state space. Finally, we parametrize the ergodic quotient using intrinsic diffusion modes on it. By segmenting the ergodic quotient based on the diffusion modes, we extract coherent features in the state space of the dynamical system. The algorithm is validated by analyzing the Arnold-Beltrami-Childress flow, which was the test-bed for alternative approaches: the Ulam's approximation of the transfer operator and the computation of Lagrangian Coherent Structures. Furthermore, we explain how the method extends the Poincar\'e map analysis for periodic flows. As a demonstration, we apply the method to a periodically-driven three-dimensional Hill's vortex flow, discovering unknown coherent structures in its state space. In the end, we discuss differences between the ergodic quotient and alternatives, propose a generalization to analysis of (quasi-)periodic structures, and lay out future research directions.Comment: Submitted to Elsevier Physica D: Nonlinear Phenomen

Mathematical Structure of Loop Quantum Cosmology: Homogeneous Models

The mathematical structure of homogeneous loop quantum cosmology is analyzed, starting with and taking into account the general classification of homogeneous connections not restricted to be Abelian. As a first consequence, it is seen that the usual approach of quantizing Abelian models using spaces of functions on the Bohr compactification of the real line does not capture all properties of homogeneous connections. A new, more general quantization is introduced which applies to non-Abelian models and, in the Abelian case, can be mapped by an isometric, but not unitary, algebra morphism onto common representations making use of the Bohr compactification. Physically, the Bohr compactification of spaces of Abelian connections leads to a degeneracy of edge lengths and representations of holonomies. Lifting this degeneracy, the new quantization gives rise to several dynamical properties, including lattice refinement seen as a direct consequence of state-dependent regularizations of the Hamiltonian constraint of loop quantum gravity. The representation of basic operators - holonomies and fluxes - can be derived from the full theory specialized to lattices. With the new methods of this article, loop quantum cosmology comes closer to the full theory and is in a better position to produce reliable predictions when all quantum effects of the theory are taken into account

On the accuracy of retinal protonated Schiff base models

We investigate the molecular geometries of the ground state and the minimal energy conical intersections (MECIs) between the ground and first excited states of the models for the retinal protonated Schiff base in the gas phase using the extended multistate complete active space second-order perturbation theory (XMS-CASPT2). The biggest model in this work is the rhodopsin chromophore truncated between the {\epsilon} and {\delta} carbon atoms, which consists of 54 atoms and 12-orbital {\pi} conjugation. The results are compared with those obtained by the state-averaged complete active space self-consistent field (SA-CASSCF). The XMS-CASPT2 results suggest that the minimum energy conical intersection associated with the so-called 13-14 isomerization is thermally inaccessible, which is in contrast to the SA-CASSCF results. The differences between the geometries of the conical intersections computed by SA-CASSCF and XMS-CASPT2 are ascribed to the fact that the charge transfer states are more stabilized by dynamical electron correlation than the diradicaloid states. The impact of the various choices of active spaces, basis sets, and state averaging schemes is also examined.Comment: Contribution to the special issue in honor of the 80th birthday of Professor Michael Bae

On the resolution of the big bang singularity in isotropic Loop Quantum Cosmology

In contrast to previous work in the field, we construct the Loop Quantum Cosmology (LQC) of the flat isotropic model with a massless scalar field in the absence of higher order curvature corrections to the gravitational part of the Hamiltonian constraint. The matter part of the constraint contains the inverse triad operator which can be quantized with or without the use of a Thiemann- like procedure. With the latter choice, we show that the LQC quantization is identical to that of the standard Wheeler DeWitt theory (WDW) wherein there is no singularity resolution. We argue that the former choice leads to singularity resolution in the sense of a well defined, regular (backward) evolution through and beyond the epoch where the size of the universe vanishes. Our work along with that of the seminal work of Ashtekar, Pawlowski and Singh (APS) clarifies the role, in singularity resolution, of the three `exotic' structures in this LQC model, namely: curvature corrections, inverse triad definitions and the `polymer' nature of the kinematic representation. We also critically examine certain technical assumptions made by APS in their analysis of WDW semiclassical states and point out some problems stemming from the infrared behaviour of their wave functionsComment: 26 pages, no figure

Hilbert spaces built on a similarity and on dynamical renormalization

We develop a Hilbert space framework for a number of general multi-scale problems from dynamics. The aim is to identify a spectral theory for a class of systems based on iterations of a non-invertible endomorphism. We are motivated by the more familiar approach to wavelet theory which starts with the two-to-one endomorphism $r: z \mapsto z^2$ in the one-torus \bt, a wavelet filter, and an associated transfer operator. This leads to a scaling function and a corresponding closed subspace $V_0$ in the Hilbert space L^2(\br). Using the dyadic scaling on the line \br, one has a nested family of closed subspaces $V_n$, n \in \bz, with trivial intersection, and with dense union in L^2(\br). More generally, we achieve the same outcome, but in different Hilbert spaces, for a class of non-linear problems. In fact, we see that the geometry of scales of subspaces in Hilbert space is ubiquitous in the analysis of multiscale problems, e.g., martingales, complex iteration dynamical systems, graph-iterated function systems of affine type, and subshifts in symbolic dynamics. We develop a general framework for these examples which starts with a fixed endomorphism $r$ (i.e., generalizing $r(z) = z^2$) in a compact metric space $X$. It is assumed that $r : X\to X$ is onto, and finite-to-one.Comment: v3, minor addition