Related papers: Quantum mechanics at high redshift -- Modelling Da…
We present a new analysis of a Keck spectrum of Q0014+813, with a new model of the $z=3.32$ absorbing cloud. We fit Lyman series absorption of the dominant HI components, including components identified with hydrogen and associated…
We introduce a Bayesian approach for modeling Voigt profiles in absorption spectroscopy and its implementation in the python package, BayesVP, publicly available at https://github.com/cameronliang/BayesVP. The code fits the absorption line…
We calculate the number of damped Lyman-alpha absorbers expected in various popular cosmological models as a function of redshift and compare our predictions with observed abundances. The Press-Schechter formalism is used to obtain the…
The advent of the Hohenberg-Kohn theorem in 1964, its extension to finite-T, Kohn-Sham theory, and relativistic extensions provide the well-established formalism of density-functional theory (DFT). This theory enables the calculation of all…
A very low primordial deuterium abundance of D/H = 1.5 10^{-5} has recently been proposed by Molaro et al. in the Lyman limit system with log(N_HI) = 18.1 cm^{-2} at z_a = 3.514 towards the quasar APM08279+5255. The D/H value was estimated…
Hydrogen embrittlement mechanisms of steels have been studied for several decades. Understanding hydrogen diffusion behavior in steels is crucial towards both developing predictive models for hydrogen embrittlement and identifying…
In the framework of the Lindblad theory for open quantum systems the damping of the harmonic oscillator is studied. A generalization of the fundamental constraints on quantum mechanical diffusion coefficients which appear in the master…
Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…
Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the…
Any viable cosmological model must produce enough structure at early epochs to explain the amount of gas associated with high-redshift damped Ly$\alpha$ systems. We study the evolution of damped Ly$\alpha$ systems at redshifts $z\ge 2$ in…
We obtain analytic solutions to various models of dissipation of the quantum harmonic oscillator, employing a simple method in the Wigner function Fourier transform description of the system; and study as an exemplification, the driven open…
A model of damped lyman alpha systems is presented based on randomly moving clouds in spherical halos. We use the Press-Schechter model for the abundance of halos, and assume that each halo has a similar population of clouds, with total…
Despite the recent progress in quantum computational algorithms for chemistry, there is a dearth of quantum computational simulations focused on material science applications, especially for the energy sector, where next generation sorbing…
The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…
Based on the Koopman-van Hove (KvH) formulation of classical mechanics introduced in Part I, we formulate a Hamiltonian model for hybrid quantum-classical systems. This is obtained by writing the KvH wave equation for two classical…
We report on high spectral resolution observations of five damped Ly-alpha absorbers. Line velocity profiles and heavy element abundances are discussed. Nitrogen is found to have abundances less than silicon in the systems toward Q…
In the framework of the Heisenberg picture, an alternative derivation of the reduced density matrix of a driven dissipative quantum harmonic oscillator as the prototype of an open quantum system is investigated. The reduced density matrix…
The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution…
In the framework of quantum thermodynamics, we propose a method to quantitatively describe thermodynamic quantities for out-of-equilibrium interacting many-body systems. The method is articulated in various approximation protocols which…
We study the desorption mechanism of hydrogen isotopes from graphene surface using first-principles calculations, with focus on the effects of quantum tunneling. At low temperatures, quantum tunneling plays a dominant role in the desorption…