Related papers: Projection method for rapid ab initio calculations…
In this paper, we extend a recently established subgradient method for the computation of Riemannian metrics that optimizes certain singular value functions associated with dynamical systems. This extension is threefold. First, we introduce…
Projective measurement is a commonly used assumption in quantum mechanics. However, advances in quantum measurement techniques allow for partial measurements, which accurately estimate state information while keeping the wavefunction…
The electronic structure, when restricted to the d-band approximation, is a computational model that is both efficient and useful for describing transition metals. In the absence of considering delocalized sp-states, this approximation…
Aussel et al. (J Optim Theory Appl 170 818-837 2016) introduced the concept of projected solutions for the quasi-variational inequalities with a non-self constraint map, that is, the case where the constraint map may take values outside the…
We apply the projective truncation technique to the tensor renormalization group (TRG) algorithm in order to reduce the computational cost from $O(\chi^6)$ to $O(\chi^5)$, where $\chi$ is the bond dimension, and propose three kinds of…
The gap between ground and first excited state of the quantum-mechanical double well is calculated using the Renormalization Group equations to the second order in the derivative expansion, obtained within a class of proper time regulators.…
We introduce a relaxed-projection splitting algorithm for solving variational inequalities in Hilbert spaces for the sum of nonsmooth maximal monotone operators, where the feasible set is defined by a nonlinear and nonsmooth continuous…
Recent advances in both theoretical and computational methods have enabled large-scale, precision calculations of the properties of atomic nuclei. With the growing complexity of modern nuclear theory, however, also comes the need for novel…
We introduce a method of exploring potential energy contours in complex dynamical systems based on potentiostatic kinematics wherein the systems are evolved with minimal changes to their potential energy. We construct a simple iterative…
Nonrelativistic two-body scattering by a short-ranged potential is studied using the renormalisation group. Two fixed points are identified: a trivial one and one describing systems with a bound state at zero energy. The eigenvalues of the…
We revisit Fradkin and Raby's real-space renormalization-group method to study the quantum Z_2 gauge theory defined on links forming a two-dimensional square lattice. Following an old suggestion of theirs, a systematic perturbation…
Iterative hybrid projection methods have proven to be very effective for solving large linear inverse problems due to their inherent regularizing properties as well as the added flexibility to select regularization parameters adaptively. In…
Nonrelativistic two-body scattering by a short-ranged potential is studied using the renormalisation group. Two fixed points are identified: a trivial one and one describing systems with a bound state at zero energy. The eigenvalues of the…
In the current paper we attempt to transfer the notion of the projectional entropy, originally defined for multidimensional subshifts, to the case of actions of amenable groups. The main theorem states that if a system is strongly…
To be feasible for computationally intensive applications such as parametric studies, optimization and control design, large-scale finite element analysis requires model order reduction. This is particularly true in nonlinear settings that…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
Mesh distortion optimization is a popular research topic and has wide range of applications in computer graphics, including geometry modeling, variational shape interpolation, UV parameterization, elastoplastic simulation, etc. In recent…
{\em Ab initio} techniques based on density functional theory in the projector-augmented-wave implementation are used to calculate the free energy and a range of other thermodynamic properties of liquid iron at high pressures and…
Drachmann's regularization approach is implemented for floating explicitly correlated Gaussians (fECGs) and molecular systems. Earlier applications of drachmannized relativistic corrections for molecular systems were hindered due to the…
We propose and analyze a novel approach to construct structure preserving approximations for the Poisson-Nernst-Planck equations, focusing on the positivity preserving and mass conservation properties. The strategy consists of a standard…