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Fix Short Range Failure

Open KuangYu opened this issue 10 months ago • 0 comments

Add two features to avoid short range failure:

  1. Add hard core potential (A/Br)^14 to Slater function
  2. Bound the induced dipole using soft truncation Both are not supposed to affect the physical region (only affect the highly repulsive region)

KuangYu avatar Mar 02 '25 06:03 KuangYu