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Maria-Andreea Filip

1 articles · 5 co-authors · latest: 2025-12-08

The Secret to Accurate Calculations: How Atoms Help Understand Molecules

Calculating molecules is a complex task requiring lengthy setup. The new method uses ready-made 'distance rules' for electrons from simple atoms, much like tailoring a dress from ready-made patterns. This not only saves time but also unexpectedly improves energy accuracy.
arXiv:2512.07530 · 2025-12-08