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user1271772
  • Member for 8 years, 6 months
  • Last seen this week
  • Caltech
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answer
11
Are there any datasets containing molecules with more than 38 heavy atoms?
Aug 31, 2019
question
10
What is Nesbet's theorem?
Aug 30, 2018
answer
10
Is it good practise to mix double and triple zeta basis sets?
Aug 22, 2019
question
9
What is the biggest known difference between rₑ and r₀?
Aug 24, 2019
answer
9
Why is Coupled Cluster not variational?
Jul 9, 2018
question
6
Is there a rule of thumb to predict when coupled cluster might dip below the variational limit?
Dec 12, 2019
question
5
How do I make a ZMAT or XYZ file from scratch?
Jun 13, 2018
answer
5
The difference between CASSCF and MCSCF methods
Jul 11, 2018
answer
5
Where can I get potential energy surface for simple molecules?
Jul 17, 2018
question
4
Knowing that CI is variational for any basis set, why is coupled-cluster variational in the full correlation limit?
Jul 11, 2018
Top Meta posts
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17
Science stack exchanges helping other science stack exchanges!
11
Why did activity on Chem.SE decline rapidly in the last few years?
10
Community Ads for 2021
4
Thanks for participating in the election and contributing to the site
4
Are there other places where Materials Modeling questions get asked?
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Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome?
58
New Feature: Table Support
58
DeepMind just announced a breakthrough in protein folding, what are the consequences?
57
Is there a database where we can find previously determined geometries of materials?
54
What is the closest thing we have to "the" universal density functional?