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physics.chem-ph2026
Unexpected Collisional Rotational Excitation via Long-Range Capture and Orbiting
Dasarath Swaraj, Guodong Zhang, Siting Hou +9
Collisional rotational excitation is a fundamental process in many gaseous environments. The textbook hard-sphere model stipulates that high rotational excitation results from head…
physics.chem-ph2024
SchrödingerNet: A Universal Neural Network Solver for The Schrödinger Equation
Yaolong Zhang, Bin Jiang, Hua Guo
Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schrödinger equation (SE) by integrating various neural network (NN)-based wave…
physics.chem-ph2024
Mechanistic Insights into Non-Adiabatic Interband Transitions on a Semiconductor Surface Induced by Hydrogen Atom Collisions
Lingjun Zhu, Qijing Zheng, Yingqi Wang +6
To understand the recently observed mysterious non-adiabatic energy transfer for hyperthermal H atom scattering from a semiconductor surface, Ge(111)c(2*8), we present a mixed quan…