DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when ...

We first developed a fast and versatile physical Poisson solver based on a simple finite-difference formulation. Which was then evaluated, especially in the context of particle simulations, by ...

Zach began writing for CNET in November, 2021 after writing for a broadcast news station in his hometown, Cincinnati, for five years. You can usually find him reading and drinking coffee or ...

Université de Paris, Laboratoire Jacques-Louis, Lions (LJLL), Paris F-75005, France Sorbonne Université, CNRS, LJLL, Paris F-75005, France ...

A python script that solves the one dimensional time-independent Schrodinger equation for bound states. The script uses a Numerov method to solve the differential equation and displays the desired ...

The method is an extension of Weinert’s pseudo-charge method [Weinert M, J Math Phys, 1981, 22:2433–2439] for solving the Poisson equation for the same class of charge density distributions. The ...