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Quantitative simulation of electronic structure of solids requires treating local and non-local electron correlations on an equal footing. We present a new ab initio formulation of Green's function embedding which, unlike dynamical…
The simulation of systems that act on multiple time scales is challenging. A stable integration of the fast dynamics requires a highly accurate approximation whereas for the simulation of the slow part, a coarser approximation is accurate…
The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free…
A Hamiltonian approach is presented to study the two dimensional motion of damped electric charges in time dependent electromagnetic fields. The classical and the corresponding quantum mechanical problems are solved for particular cases…
It is shown how Adler's trace dynamics can be applied to stochastic mechanics and other complex classical dynamical systems. Emergent non-commutivity due to the fractal nature of sample trajectories is closely related to the fact that the…
We develop a nonperturbative dynamical theory (NDT) to calculate the retarded Green's function under nonequilibrium conditions. The NDT is particularly useful for treating nonequilibrium transport problems in systems with strong…
Variational methods play an important role in the study of quantum many-body problems, both in the flavor of classical variational principles based on tensor networks as well as of quantum variational principles in near-term quantum…
The forced time harmonic response of a spatiotemporally-modulated elastic beam of finite length with light damping is derived using a novel Green's function approach. Closed-form solutions are found that highlight unique mode coupling…
We present an efficient numerical approach for treating ballistic quantum transport across devices described by tight binding (TB) Hamiltonians designated to systems with localized potential defects. The method is based on the wave function…
The short-distance singular structure of the two-point function of a free scalar field in curved spacetime has a universal behavior that characterizes well-behaved states (called Hadamard states). This includes a non-analytic term…
Green's functions characterize the fundamental solutions of partial differential equations; they are essential for tasks ranging from shape analysis to physical simulation, yet they remain computationally prohibitive to evaluate on…
We show that the stochastic dynamics of a large class of one-dimensional interacting particle systems may be presented by integrable quantum spin Hamiltonians. Using the Bethe ansatz and similarity transformations this yields new exact…
We introduce a quasiclassical Green function approach describing the unitary yet irreversible dynamics of quantum systems effectively acting as their own environment. Combining a variety of concepts of quantum many-body theory, notably the…
We examine the performance of the density matrix embedding theory (DMET) recently proposed in [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)]. The core of this method is to find a proper one-body potential that generates…
Training data attribution (TDA) methods ask which training documents are responsible for a model behavior. However, models often learn broad concepts shared across many examples. Moreover, existing TDA methods are supervised -- they require…
The discretisation of boundary integral equations for the scalar Helmholtz equation leads to large dense linear systems. Efficient boundary element methods (BEM), such as the fast multipole method (FMM) and $\Hmat$ based methods, focus on…
Green's functions in Physics have proven to be a valuable tool for understanding fundamental concepts in different branches, such as electrodynamics, solid-state and many -body problems. In quantum mechanics advanced courses, Green's…
The effective Hamiltonian serves as the conceptual pivot of quantum engineering, transforming physical complexity into programmable logic; yet, its construction remains compromised by the mathematical non-uniqueness of block…
Understanding complex quantum dynamics in realistic materials requires insight into the underlying correlations dominating the interactions between the participating particles. Due to the wealth of information involved in these processes,…
The nondecimated or translation-invariant wavelet transform (NDWT) is a central tool in classical multiscale signal analysis, valued for its stability, redundancy, and shift invariance. This paper develops two complementary quantum…