Related papers: Direct Mapping Hidden Excited State Interaction Pa…
A new simulation approach of field evaporation is presented. The model combines classical electrostatics with molecular dynamics (MD) simulations. Unlike previous atomic-level simulation approaches, our method does not rely on an…
Open dynamical systems are mathematical models of machines that take input, change their internal state, and produce output. For example, one may model anything from neurons to robots in this way. Several open dynamical systems can be…
Structure of the intermediate state in type-I superconducting lead (Pb) is shown to be very sensitive to the ramp rate of an applied magnetic field. The configurations of resulting static patterns depend sensitively on the shape of the…
Spatio-temporal patterns emerging from an initial quiescent, uniform state is a phenomenon observed in many dynamical systems sustained far from thermodynamic equilibrium, the practical application of which has only recently begun to be…
Glass-forming systems, which are characterized by a highly disordered energy landscape, have been studied in physics by a simulation-based state space aggregation. The purpose of this article is to develop a path-independent approach within…
Many recent applications of time-dependent density functional theory begin in an initially excited state, and propagate it using an adiabatic approximation for the exchange-correlation potential. This however inserts the excited-state…
We give a constructive method for realizing an arbitrary directed graph (with no one-cycles) as a heteroclinic or an excitable dynamic network in the phase space of a system of coupled cells of two types. In each case, the system is…
We study the response of a highly excited 1D gas with pointlike interactions to a periodic modulation of the coupling constant. We calculate the corresponding dynamic structure factors and show that their low-frequency behavior differs…
We analyze a model of mutually-propelled filaments suspended in a two-dimensional solvent. The system undergoes a mean-field isotropic-nematic transition for large enough filament concentrations and the nematic order parameter is allowed to…
Exact calculations are performed on the two-dimensional strongly interacting, unpolarized, uniform Fermi gas with a zero-range attractive interaction. Two auxiliary-field approaches are employed which accelerate the sampling of…
Conical intersections constitute the conceptual bedrock of our working understanding of ultrafast, nonadiabatic processes within photochemistry (and photophysics). Accurate calculation of potential energy surfaces within the vicinity of…
This work presents a series of highly-accurate excited-state properties obtained using high-order coupled-cluster (CC) calculations performed with a series of diffuse containing basis sets, as well as extensive comparisons with experimental…
State-space models effectively model multivariate time series by updating over time a representation of the system state from which predictions are made. The state representation is usually a vector without any explicit structure.…
Excited state contamination remains one of the most challenging sources of systematic uncertainty to control in lattice QCD calculations of nucleon matrix elements and form factors: early time separations are contaminated by excited states…
The method of analytic continuation is used to find exact integral equations for a selection of finite-volume energy levels for the non-unitary minimal models $M_{2,2N+3}$ perturbed by their $\varphi_{13}$ operators. The N=2 case is studied…
We introduce a multimodel approach to solve coupled cluster equations, employing a quasi Newton algorithm for the ground state and an Olsen algorithm for the excited states. In these algorithms, both of which can be viewed as Newton…
We employ a generalized variational principle to improve the stability, reliability, and precision of fully excited-state-specific complete active space self-consistent field theory. Compared to previous approaches that similarly seek to…
The properties of the ground state of one of the simplest models of frustrated magnetic systems, a dilute Ising chain in a magnetic field, are considered for all values of the concentration of charged non-magnetic impurities. An analytical…
Recently developed neural network-based wave function methods are capable of achieving state-of-the-art results for finding the ground state in real space. In this work, a neural network-based method is used to compute excited states. We…
We present an implementation and benchmark of new approximations in multireference algebraic diagrammatic construction theory for simulations of neutral electronic excitations and UV/Vis spectra of strongly correlated molecular systems…