相关论文: Direct Mapping Hidden Excited State Interaction Pa…
Up to date, the life time of experimentally demonstrated entangled states has been limited, due to their fragility under decoherence and dissipation. Therefore, they are created under strict isolation conditions. In contrast, new approaches…
Ab initio modeling of conical intersection dynamics is crucial for various photochemical, photophysical, and biological processes. However, adiabatic electronic states obtained from electronic structure computations involve random phases,…
The accurate quantum chemical calculation of excited states is a challenging task, often requiring computationally demanding methods. When entire ground and excited potential energy surfaces (PESs) are desired, e.g., to predict the…
We present results on the first excited states for the random-field Ising model. These are based on an exact algorithm, with which we study the excitation energies and the excitation sizes for two- and three-dimensional random-field Ising…
Dynamical fluctuations or rare events associated with atypical trajectories in chaotic maps due to specific initial conditions can crucially determine their fate, as the may lead to stability islands or regions in phase space otherwise…
We propose a phase prediction method for the pattern formation in the uniaxial two-dimensional kinetic Ising model with the dipole-dipole interactions under the time-dependent Ginzburg-Landau dynamics. Taking the effects of the material…
Network modeling characterizes the underlying principles of structural properties and is of vital significance for simulating dynamical processes in real world. However, bridging structure and dynamics is always challenging due to the…
The mean-field solutions of electronic excited states are much less accessible than ground state (e.g.\ Hartree-Fock) solutions. Energy-based optimization methods for excited states, like $\Delta$-scf, tend to fall into the lowest solution…
The dynamical evolution of self-gravitating scalar field configurations in numerical relativity is studied. The previous analysis on ground state boson stars of non-interacting fields is extended to excited states and to fields with self…
We present an analysis of a system of weakly coupled Hubbard chains based on combining an exact study of spectral functions of the uncoupled chain system with a renormalization group method for the coupled chains. For low values of the…
Despite significant progress on stability analysis of conventional multiagent networked systems with weakly coupled state-network dynamics, most of the existing results have shortcomings in addressing multiagent systems with highly coupled…
We propose a general framework for a hybrid continuous-discrete algorithm that integrates continuous-time deterministic dynamics with Metropolis-Hastings steps to combine search dynamics with and without detailed balance. Our purpose is to…
We introduce an approach to improve single-reference coupled cluster theory in settings where the Aufbau determinant is absent from or plays only a small role in the true wave function. Using a de-excitation operator that can be efficiently…
We study the behaviour of catalytically active droplets in multi-component conserved mixtures affected by noise. Working in the thin interface limit, we analytically determine the state diagram of the system, characterized by multiple…
Single trial analyses of ensemble activity in alert animals demonstrate that cortical circuits dynamics evolve through temporal sequences of metastable states. Metastability has been studied for its potential role in sensory coding, memory…
In single-reference coupled-cluster (CC) methods, one has to solve a set of non-linear polynomial equations in order to determine the so-called amplitudes which are then used to compute the energy and other properties. Although it is of…
Selected configuration interaction (SCI) methods have emerged as state-of-the-art methodologies for achieving high accuracy and generating benchmark reference data for ground and excited states in small molecular systems. However, their…
Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive as compared to electronic structure calculations and allow for simulations of…
Downfolding coupled cluster (CC) techniques are powerful tools for reducing the dimensionality of many-body quantum problems. This work investigates how ground-state downfolding formalisms can target excited states using non-Aufbau…
Data-based inference of directed interactions in complex dynamical systems is a problem common to many disciplines of science. In this work, we study networks of spatially separate dynamical entities, which could represent physical systems…