Related papers: Random Phase Approximation in Projected Oscillator…
Oscillons are spatially localized, time-periodic and long-lived configurations that were primarily proposed in scalar field theories with attractive self-interactions. In this letter, we demonstrate that oscillons also exist in the…
This article describes an extension to the effective Average Atom (AA) method for random alloys to account for local ordering (short-range order) effects by utilizing information from partial radial distribution functions. The new…
Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…
The success behind many pseudopotential methods, such as the Projected Augmented Waves (PAW) and the Phillips-Kleinman pseudopotential methods, is that these methods are nearly all electron methods in disguise. For the Phillips-Kleinman and…
Out-of-time-ordered correlators (OTOCs), defined via the squared commutator of a time-evolving and a stationary operator, represent observables that provide useful indicators for chaos and the scrambling of information in complex quantum…
The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of…
The projector augmented wave (PAW) method of Bl\"ochl linearly maps smooth pseudo wavefunctions to the highly oscillatory all-electron DFT orbitals. Compared to norm-conserving pseudopotentials (NCPP), PAW has the advantage of lower kinetic…
Spatially localized one-electron orbitals, orthogonal and nonorthogonal, are widely used in electronic structure theory to describe chemical bonding and speed up calculations. In order to avoid linear dependencies of localized orbitals, the…
This work provides new insights on the convergence of a locally connected network of pulse coupled oscillator (PCOs) (i.e., a bio-inspired model for communication networks) to synchronous and desynchronous states, and their implication in…
This thesis is mainly devoted to the study of the quantum properties of optical parametric oscillators (OPOs), which are nowadays the sources of the highest-quality quantum-correlated light, apart from fundamental tools in the…
The cost of simulating quantum many-body systems - on classical or quantum hardware - scales with the number of variational parameters, so progress at fixed computational budget hinges on more parameter-efficient ans\"atze. Configuration…
Nonlinear networks are often multistable, exhibiting coexisting stable states with competing regions of attraction (ROAs). As a result, ROAs can have complex "tentacle-like" morphologies that are challenging to characterize analytically or…
The Product of Exponentials (PoE) formulation is most commonly used in the field of robotics, but has recently been adapted for use in describing orbital motion. The PoE formula for orbital mechanics is an alternate method for defining and…
We present an efficient implementation of the random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With optimized parameters, DLPNO-RPA achieves approximately 99.9%…
We develop a new projected wave function approach which is based on projection operators in the form of matrix-product operators (MPOs). Our approach allows to variationally improve the short range entanglement of a given trial wave…
We explore the phase reduction in networks of coupled oscillators in the higher orders of the coupling parameter. For coupled Stuart-Landau oscillators, where the phase can be introduced explicitly, we develop an analytic perturbation…
A great deal of research has been conducted in the consideration of meta-heuristic optimisation methods that are able to find global optima in settings that gradient based optimisers have traditionally struggled. Of these, so-called…
We apply the Proper Orthogonal Decomposition (POD) method for the efficient simulation of several scenarios undergone by Micro-Electro-Mechanical-Systems, involving nonlinearites of geometric and electrostatic nature. The former type of…
Unstable periodic orbits (UPOs) are believed to be the underlying dynamical structures of spatio-temporal chaos and turbulence. Finding these UPOs is however notoriously difficult. Matrix-free loop convergence algorithms deform entire…
Correlations and measures of entanglement in ground state wavefunctions of relativistic quantum field theories are spatially localized over length scales set by the mass of the lightest particle. We utilize this localization to design…