MCEND: an open-source program for quantum electron-nuclear dynamics

DOI10.1016/J.CPC.2024.109405MaRDI QIDQ6660234

Cong Wang, Angela K. Wilson, Lucas E. Aebersold, Inga S. Ulusoy

Publication date: 10 January 2025

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

quantum dynamicstime-dependent Schrödinger equationelectron-nuclear dynamics

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• Quantum dynamics via adiabatic ab initio centroid molecular dynamics
• WavePacket: a Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations
• One-dimensional Coulomb-like problem in general case of deformed space with minimal length
• Solving Ordinary Differential Equations I
• Introduction to Quantum Mechanics
• Converting translation operators into plane polar and spherical coordinates and their use in determining quantum-mechanical wavefunctions in a representation-independent fashion
• A New Method of Interpolation and Smooth Curve Fitting Based on Local Procedures

This page was built for publication: MCEND: an open-source program for quantum electron-nuclear dynamics

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6660234)