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Chemistry
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nougako
  • Member for 6 years, 9 months
  • Last seen more than 1 year ago
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7
How to determine which p-type GTO to choose in HF method?
Oct 19, 2017
3
Is configuration interaction able to produce degenerate ground states?
Dec 14, 2021
3
What molecules other than N$_2$ have wrong orbital ordering when calculated using Hartree-Fock?
Dec 22, 2021
2
Can someone suggest me important references for deriving EOM in MCSCF?
Nov 7, 2017
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19
How is group theory used to deduce which of these integrals are equal to 0?
16
Electron density arising from Slater determinant wave function
8
Are there computational methods for the determination of the point group symmetry of a molecule of a given geometry?
8
Is the formula of a Dyson orbital independent of whether there is degeneracy or not in the HOMO of the neutral?
5
What is the best method of computing $a^{(k)}/k!$?