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Algorithm and Software for a Quantum Molecular Non-Born-Oppenheimer Model to Predict Molecular Interactions with a Magnetic Field

This invention is an algorithm developed and implemented for a new non-Born-Oppenheimer method for atomic quantum-mechanical calculations to predict fine structure corresponding to atomic transitions for atoms or molecules in a strong magnetic field. This algorithm was programmed and tested in calculations of hydrogen deuteride (HD) in a stationary...

Published: 3/12/2024 | Inventor(s): Ludwik Adamowicz, Monika Stanke

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Category(s): Technology Classifications > Energy, Cleantech & Environmental > Nuclear, Technology Classifications > Engineering & Physical Sciences > Communications & Networking, Technology Classifications > Engineering & Physical Sciences > Electronics, Technology Classifications > Imaging & Optics > Sensors and Detection, Technology Classifications > Research Tools, Technology Classifications > Software & Information Technology

Algorithm and Software for Predicting Atomic States Using Relativistic Corrections

yle> This invention is an algorithm developed and implemented for a new non-Born-Oppenheimer method for atomic quantum-mechanical calculations to predict fine structure corresponding to atomic transitions. This algorithm was programmed and tested by comparing calculations with experimental spectra of 3P states of helium and beryllium atoms, with very...

Published: 3/12/2024 | Inventor(s): Ludwik Adamowicz, Monika Stanke, Andrzej Kedziorski

Keywords(s):

Category(s): Technology Classifications > Software & Information Technology, Technology Classifications > Research Tools > Simulators and Modeling Tools, Technology Classifications > Materials > Chemicals