The Tao of It and Bit

Julian Barbour

T. H. Hansson, A. Karlhede

It is now established that the state proposed by Tao and Thouless for the fractional quantum Hall effect in 1983, shortly after Laughlin's work, is the ground state in the so-called Tao-Thouless limit, and that it is adiabatically connected to the Laughlin state. We review the interesting history of the Tao-Thouless state, and its generalizations, and discuss its relevance and shortcomings. In particular, we calculate the exclusion statistics of quasiparticles in the Tao-Thouless limit and point out a principal difficulty which prevents calculation of the fractional exchange statistics in this limit.

Michael Brooks

Ovidiu Cristinel Stoica

The main mystery of quantum mechanics is contained in Wheeler's delayed choice experiment, which shows that the past is determined by our choice of what quantum property to observe. This gives the observer a participatory role in deciding the past history of the universe. Wheeler extended this participatory role to the emergence of the physical laws ("law without law"). Since what we know about the universe comes in yes/no answers to our interrogations, this led him to the idea of "it from bit" (which includes the participatory role of the observer as a key component). The yes/no answers to our observations ("bit") should always be compatible with the existence of at least a possible reality - a global solution ("it") of the Schrodinger equation. I argue that there is in fact an interplay between "it" and "bit". The requirement of global consistency leads to apparently acausal and nonlocal behavior, explaining the weirdness of quantum phenomena. As an interpretation of Wheeler's "it from bit" and "law without law", I discuss the possibility that the universe is mathematical, and that there is a "mother of all possible worlds" - named the "Axiom Zero".

Shaozhi Li, Jeng-Da Chai

Recently, thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] has been demonstrated to be an efficient and accurate electronic structure method for studying the ground-state properties of large multi-reference (MR) systems at absolute zero. To explore the thermal equilibrium properties of large MR systems at finite electronic temperatures, in the present work, we propose the finite-temperature (FT) extension of TAO-DFT, denoted as FT-TAO-DFT. Besides, to unlock the dynamical information of large MR systems at finite temperatures, FT-TAO-DFT is combined with ab initio molecular dynamics, leading to FT-TAO-AIMD. In addition, we also develop FT-TAO-DFT-based quantum mechanics/molecular mechanics (QM/MM), denoted as FT-TAO-QM/MM, to provide a cost-effective description of the thermal equilibrium properties of a QM subsystem with MR character embedded in an MM environment at finite temperatures. Moreover, the FT-TAO-DFT, FT-TAO-AIMD, and FT-TAO-QM/MM methods are employed to explore the radical nature and infrared (IR) spectra of n-acenes (n = 2--6), consisting of n linearly fused benzene rings, in vacuum and in an argon (Ar) matrix at finite temperatures. According to our calculations, for n-acenes at 1000 K or below, the electronic temperature effects on the radical nature and IR spectra are very minor, while the nuclear temperature effects on these properties are noticeable. For n-acene in an Ar matrx at absolute zero, the Ar matrix has minimal impact on the radical nature of n-acene, while the co-deposition procedure of n-acene and Ar atoms may affect the IR spectrum of n-acene.

Adam Becker