2 points submitted 13 days agoYou’re an idiot

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You can use plane waves. Plane waves are naturally periodic and are thus useful for studying bulk systems like crystals, but because of this, they often unhelpful for studying things like individual molecular systems, as the molecule will interact with its periodic images. You can get around this by putting lots of empty space around the molecule so that its images are far away, but vacuum is just as expensive to solve the Kohn Sham equations for with a plane wave code as non vacuum, so it more convenient to use a non periodic basis set like Gaussians if you studying non periodic systems like individual molecules..

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