Theorists Close In on Improved Atomic Property Predictions January 2010 | NIST

Scientists at NIST and Indiana University have made a major breakthrough by calculating the excitation energies of lithium atoms with much greater accuracy than ever before. This achievement is important because excitation energy—the amount needed to move an electron to a higher energy level—is key to understanding atomic behavior. The team used a new method that overcomes long-standing computational challenges, allowing for more precise predictions based on quantum mechanics.

This approach could eventually be used to calculate excitation energies for other elements, starting with beryllium and moving through the periodic table. The method involves advanced algorithms and powerful computing techniques, such as parallel processing, which make these complex calculations possible. This progress has potential applications in fields like astrophysics, plasma physics, and atmospheric science, where accurate atomic data is essential. The team is now working on applying the same method to beryllium, with hopes of expanding its use to other elements in the future.

Source: https://www.nist.gov/itl/math/high-performance-computing-and-visualization/theorists-close-improved-atomic-property

Keywords: quantum mechanics, excitation energy, parallel computing

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