Related papers: Solving Many-Electron Schr\"odinger Equation Using…
It was recently shown that the Madelung equations, that is, a hydrodynamic form of the Schr\"odinger equation, can be derived from a canonical ensemble of neural networks where the quantum phase was identified with the free energy of hidden…
The Pauli exclusion principle can be stated as inequality $<\psi|\rho|\psi>\le 1$ for the electron density matrix $\rho$. Nowadays it is replaced by skew symmetry of the multi-electron wave function. The replacement leads to numerous…
We solve exactly the Schr\"odinger equation for the free-particle, the pseudo-harmonic oscillator and the Mie-type potential in three dimensions with the Dunkl derivative. The equations for the radial and angular parts are obtained by using…
This paper develops a deep learning method for linear and nonlinear filtering. The idea is to start with a nominal dynamic model and generate Monte Carlo sample paths. Then these samples are used to train a deep neutral network. A least…
The two-body Coulomb scattering problem is solved using the standard complex scaling method. The explicit enforcement of the scattering boundary condition is avoided. Splitting of the scattering wave function based on the Coulomb modified…
The simulation of strongly correlated many-electron systems is one of the most promising applications for near-term quantum devices. Here we use a class of eigenvalue solvers (presented in Phys. Rev. Lett. 126, 070504 (2021)) in which a…
In this work we introduce a new family of twelve-step linear multistep methods for the integration of the Schr\"odinger equation. The new methods are constructed by adopting a new methodology which improves the phase lag characteristics by…
Moir\'e materials provide an ideal platform for exploring quantum phases of matter. However, solving the many-electron problem in moir\'e systems is challenging due to strong correlation effects. We introduce a powerful variational…
We analyze a numerical method to solve the time-dependent linear Pauli equation in three space dimensions. The Pauli equation is a semi-relativistic generalization of the Schr\"odinger equation for 2-spinors which accounts both for magnetic…
Quantum mechanics for many-body systems may be reduced to the evaluation of integrals in 3N dimensions using Monte-Carlo, providing the Quantum Monte Carlo ab initio methods. Here we limit ourselves to expectation values for trial…
We introduce the Schrodinger Neural Network (SNN), a principled architecture for conditional density estimation and uncertainty quantification inspired by quantum mechanics. The SNN maps each input to a normalized wave function on the…
This chapter introduces the main ideas and the most important methods for representing the electronic wavefunction through machine learning models. The wavefunction of a N-electron system is an incredibly complicated mathematical object,…
Clusters of sizes ranging from two to five are studied by variational quantum Monte Carlo techniques. The clusters consist of Ar, Ne and hypothetical lighter (``$1 \over 2$-Ne") atoms. A general form of trial function is developed for which…
We propose a Schr\"odinger equation of arbitrary order for modeling charge transport in semiconductors operating in the ballistic regime. This formulation incorporates non-parabolic effects through the Kane dispersion relation, thereby…
We present an efficient classical algorithm based on the construction of a unitary quantum circuit for simulating the Isotropic Wave Equation (IWE) in one, two, or three dimensions. Using an analogy with the massless Dirac equation, second…
The classical Schr\"odinger equation with a harmonic trap potential $V(x)=|x|^2$, describing the quantum harmonic oscillator, has been studied quite extensively in the last twenty years. Its ground states are bell-shaped and unique, among…
In the Hartree-Fock approximation the Pauli exclusion principle leads to a Schroedinger Eq. of an integro-differential form. We describe a new spectral noniterative method (S-IEM), previously developed for solving the Lippman-Schwinger…
The Schr\"odingerization method converts linear partial and ordinary differential equations with non-unitary dynamics into systems of Schr\"odinger-type equations with unitary evolution. It does so via the so-called warped phase…
We develop a class of soliton solution of {\it linear} Schr\"odinger equation without external potential. The quantum probability density generates its own boundary inside which there is internal vibration whose wave number is determined by…
In this paper, we present quantum algorithms for a class of highly-oscillatory transport equations, which arise in semiclassical computation of surface hopping problems and other related non-adiabatic quantum dynamics, based on the…