Chemistry
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obackhouse
  • Member for 6 years
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  • Manchester, United Kingdom
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Score Newest
question
16
Practical differences between storing 2-electron integrals and calculating them as needed?
Sep 12, 2017
answer
13
Why do n AOs only form n MOs?
Sep 19, 2017
question
10
3-index integral schemes for density fitting
Dec 19, 2017
question
9
Vanishing integral rule for two-electron integrals
Dec 2, 2018
answer
9
How does an oscillating reaction work?
Aug 30, 2017
answer
9
Pople Basis Set Abnormality: 3rd row 6-311G
Dec 18, 2017
question
8
Analytical gradient of the Hartree-Fock nuclear-electronic repulsion term
Jan 31, 2018
question
7
Handling vectors for double-bond graphics
Oct 10, 2017
question
6
Accuracy benchmarks for atomic multipole moments
Apr 15, 2018
question
5
Identifying principal quantum numbers in natural population analysis
Aug 8, 2018
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8
Diagonalizing a nearly-diagonal matrix

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