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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: 10/23/2020   |   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