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Chemistry
Hans Wurst's user avatar
Hans Wurst's user avatar
Hans Wurst's user avatar
Hans Wurst
  • Member for 6 years, 1 month
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9
What is the difference between a configuration state function and a Slater determinant?
Mar 29, 2019
9
Oscillator Strength and Absorption Intensity in TDDFT
May 12, 2021
6
Is any symmetry element conserved during a supra-antarafacial cyclo addition of two cis-butadiene units
Jun 26, 2019
6
Why is chemistry based on rules and exceptions when everything can be simulated?
Sep 25, 2021
6
Physical interpretation of transition density matrix
Sep 11, 2022
6
"Probability flux": Imaginary part
Aug 28, 2023
5
How are the LCAO ansatz and Slater determinant ansatz for the wavefunction connected?
Aug 30, 2018
5
How is the vibration of multiple atoms treated in vibrational spectroscopy?
Jul 27, 2021
4
Computational determination of the diagram of molecular orbitals of a polyatomic chemical species
Jul 18, 2021
4
Why are anti bonding orbitals distorted towards the less electronegative element?
Dec 3, 2021
Top network posts
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16
Can you estimate the electronic excited state lifetime of a molecule?
13
What's wrong with this "proof" that all Hamiltonians are time independent?
13
Exact relationship between electric field and intensity
10
Transformation between two different sets of molecular vibrational normal coordinate systems
10
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?