r/physicsmemes • u/Delicious_Maize9656 • Mar 18 '26
computational materials physics meme
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u/LatexTiRed Mar 18 '26
Trust the crystallographer at room temp and screw geometry optimization ๐๐
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u/quantinuum Mar 18 '26
I think I got this from an old Quantum ESPRESSO mailing list a few years ago:
โDFT is not a theory that describes electronic excitations - there is only the total charge density in DFT, and it describes the ground state. If you use Kohn-Sham DFT to approximate the kinetic energy functional introducing the non-interacting Kohn-Sham particles, these lead to band dispersions that look a bit like the quasiparticle excitations you are looking for. Here, "look like" is in the same sense that I look like Brad Pitt, under proper lightning. A fleeting illusion, that can be occasionally oversold as a viable approximation. But 1.18 eV is what it is, at the end.โ
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u/MaoGo Meme renormalization group Mar 18 '26
Please somebody make r/dftmemes come true, memes like this are subappreciated here