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A numerical method is proposed for simulation of composite open quantum systems. It is based on Lindblad master equations and adiabatic elimination. Each subsystem is assumed to converge exponentially towards a stationary subspace, slightly…
This work proposes a sampling-based (non-intrusive) approach within the context of low-rank separated representations to tackle the issue of curse-of-dimensionality associated with the solution of models, e.g., PDEs/ODEs, with…
We perform a short review of the history of quantum mechanics, with a focus on the historical problems with describing ionization theoretically in the context of quantum mechanics. The essentials of the theory of resonances are presented.…
We present a framework for simulating relaxation dynamics through a conical intersection of an open quantum system that combines methods to approximate the motion of degrees of freedom with disparate time and energy scales. In the vicinity…
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…
Within a simple SO(8) algebraic model, the coexistence between isoscalar and isovector pairing modes can be successfully described using a mean-field method plus restoration of broken symmetries. In order to port this methodology to real…
We consider three-body recombination into deep dimers in a mass-imbalanced two-component atomic gas. We use an optical model where a phenomenological imaginary potential is added to the lowest adiabatic hyper-spherical potential. The…
We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by…
Let $I\subseteq \Bbb N$ be a finite or infinite set and let ${(x_n)_{n\in I}}$ be a frame for a separable Hilbert space $\mathcal{H}$. Consider transmission of a signal $h\in\mathcal{H}$ where a finite subset $(\langle h,x_n\rangle)_{n\in…
We propose a primal-dual parallel proximal splitting method for solving domain decomposition problems for partial differential equations. The problem is formulated via minimization of energy functions on the subdomains with coupling…
We consider radial complex scaling/perfectly matched layer methods for scalar resonance problems in homogeneous exterior domains. We introduce a new abstract framework to analyze the convergence of domain truncations and discretizations.…
Strongly interacting fermions underpin some of the most challenging problems in condensed matter physics, such as high-temperature superconductivity. The low-energy states of these systems encode their essential microscopic properties, yet…
Excited-state properties of highly correlated systems are key to understanding photosynthesis, luminescence, and the development of novel optical materials, but accurately capturing their interactions is computationally costly. We present…
In this paper, we apply the method of breaking quantum double symmetries to some cases of defect mediated melting. The formalism allows for a systematic classification of possible defect condensates and the subsequent confinement and/or…
The recombination of an electron with an (initially) hydrogen-like ion is investigated. The effect of the electron-electron interaction is treated rigorously to the first order in the parameter 1/Z and within the screening-potential…
We present the first detailed ab initio quantum mechanical calculations for total and state-specific recombination rate coefficients for e + Ni III --> Ni II. These rates are obtained using a unified treatment for total electron-ion…
We develop and implement a method for modeling decoherence processes on an N-dimensional quantum system that requires only an $N^2$-dimensional quantum environment and random classical fields. This model offers the advantage that it may be…
The effective, fast transport of matter through porous media is often characterized by complex dispersion effects. To describe in mathematical terms such situations, instead of a simple macroscopic equation (as in the classical Darcy's…
Differential cross sections for the electro-disintegration process $e + {^4He} \longrightarrow {^3H}+ p + e'$ are calculated, using a model in which the final state interaction is included by means of a nucleon-nucleus (3+1) potential…
Identifying quantum phase transitions poses a significant challenge in condensed matter physics, as this requires methods that both provide accurate results and scale well with system size. In this work, we demonstrate how relaxation…