The Secret to Accurate Calculations: How Atoms Help Understand Molecules ⚡ экспресс
Original: "Modular Construction of Jastrow Factors for the Transcorrelated Method"
Scientists have found a way to transfer ready-made electron behavior rules from atoms to complex molecules, simplifying and refining calculations.
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Previously, to accurately describe a molecule, one had to re-select dozens of parameters. Now you can take 'blanks' from atoms — and the calculations become not only faster but also more reliable. This trick will save chemists' effort and help create new materials more quickly.
🎯 Electrons in a molecule observe personal space more strictly than people on a subway: the mathematical distance rule helps predict their trajectories with pinpoint precision.
🎬 The idea of transferring perfect settings from atoms to molecules is like assembling a space station from autonomous modules, each already perfect.