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Matter Modeling
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jjgoings's user avatar
jjgoings's user avatar
jjgoings
  • Member for 4 years, 4 months
  • Last seen more than 1 year ago
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8
What functions other than Gaussians are used for orbital basis sets?
Aug 8, 2020
question
4
What is the difference, if any, between an effective core potential (ECP) and a pseudopotential?
May 3, 2023
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15
How to visualise the total electron density from a Gaussian 16 calculation?
14
Is it true that all of the physical laws and mathematics needed to describe chemistry are known?
13
What is a virtual state?
13
Why are excited Slater determinants used to describe electron correlation?
12
Why is no dynamical correlation recovered in the CASSCF method?