相关论文: Deep neural network solution of the electronic Sch…
Fractional evolution equations lack generally accessible and well-converged codes excepting anomalous diffusion. A particular equation of strong interest to the growing intersection of applied mathematics and quantum information science and…
A novel unified Hamiltonian approach is proposed to solve Maxwell-Schrodinger equation for modeling the interaction between classical electromagnetic (EM) fields and particles. Based on the Hamiltonian of electromagnetics and quantum…
In molecular simulations, neural network force fields aim at achieving \emph{ab initio} accuracy with reduced computational cost. This work introduces enhancements to the Deep Potential network architecture, integrating a message-passing…
The hybridizations of machine learning and quantum physics have caused essential impacts to the methodology in both fields. Inspired by quantum potential neural network, we here propose to solve the potential in the Schrodinger equation…
Direct sampling of multi-dimensional systems with quantum Monte Carlo methods allows exact account of many-body effects or particle correlations. The most straightforward approach to solve the Schr\"odinger equation, Diffusion Monte Carlo,…
Electron-impact ionization cross sections of atoms and molecules are essential for plasma modelling. However, experimentally determining the absolute cross sections is not easy, and ab initio calculations become computationally prohibitive…
In this work, we study the approximation of expected values of functional quantities on the solution of a stochastic differential equation (SDE), where we replace the Monte Carlo estimation with the evaluation of a deep neural network. Once…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
In the process of the deep learning, we integrate more integrable information of nonlinear wave models, such as the conservation law obtained from the integrable theory, into the neural network structure, and propose a conservation-law…
In this work, we introduce PHOENIX, a highly optimized explicit open-source solver for two-dimensional nonlinear Schr\"odinger equations with extensions. The nonlinear Schr\"odinger equation and its extensions (Gross-Pitaevskii equation)…
We generalize the known solution of the Schr\"odinger equation, describing a particle confined to a triangular area, for a triangular graphene quantum dot with armchair-type boundaries. The quantization conditions, wave functions, and the…
The Schrodinger equation is a mathematical equation describing the wave function's behavior in a quantum-mechanical system. It is a partial differential equation that provides valuable insights into the fundamental principles of quantum…
The study of highly charged electronic and muonic hydrogen-like ions, provides an intriguing way to probe the internal structure of their atomic nuclei. In this work, we use nuclear structure calculations to accurately calculate the…
In 1926, Erwin Schrodinger wrote a series of papers that invented wave mechanics and set the foundation for much of the single-particle quantum mechanics that we teach today. In his first paper, he solved the Schrodinger equation using the…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
Quantum many-body systems are of great interest for many research areas, including physics, biology and chemistry. However, their simulation is extremely challenging, due to the exponential growth of the Hilbert space with the system size,…
By decomposing the important sampled imaginary time Schr\"odinger evolution operator to fourth order with positive coefficients, we derived a number of distinct fourth order Diffusion Monte Carlo algorithms. These sophisticated algorithms…
We perform a short review of the history of quantum mechanics, with a focus on the historical problems with describing ionization theoretically in the context of quantum mechanics. The essentials of the theory of resonances are presented.…
Previously we found a unique quantum system with a positive gauge-invariant Weyl-Stratonovich quasi-probability density function which can be defined by the so-called {\guillemotleft}quadratic funnel{\guillemotright} potential [Phys. Rev. A…
Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows…