Computational Science
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jjgoings
  • Member for 8 years, 5 months
  • Last seen more than a month ago
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4
Using SVD to biorthogonalize left and right eigenvectors?
Jan 22, 2015
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Computing eigenpairs of singular matrix with ZGEEV?
Dec 24, 2014
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15
How to visualise the total electron density from a Gaussian 16 calculation?
13
Is it true that all of the physical laws and mathematics needed to describe chemistry are known?
12
Why is CCSD(T)/aug-cc-pVTZ not a suitable method for the geometry optimisation of omeprazole?
12
What is a virtual state?
11
Why are excited Slater determinants used to describe electron correlation?

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