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Chemistry
Hans Wurst's user avatar
Hans Wurst's user avatar
Hans Wurst's user avatar
Hans Wurst
  • Member for 7 years, 10 months
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Top posts

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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
"Probability flux": Imaginary part
Aug 28, 2023
6
Physical interpretation of transition density matrix
Sep 11, 2022
6
Why is chemistry based on rules and exceptions when everything can be simulated?
Sep 25, 2021
6
How is the vibration of multiple atoms treated in vibrational spectroscopy?
Jul 27, 2021
5
How are the LCAO ansatz and Slater determinant ansatz for the wavefunction connected?
Aug 30, 2018
4
Deriving the equation of motion for adiabatic approximation
Jun 27, 2023
4
Why are anti bonding orbitals distorted towards the less electronegative element?
Dec 3, 2021

Top network posts

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17
Can you estimate the electronic excited state lifetime of a molecule?
14
Exact relationship between electric field and intensity
13
What's wrong with this "proof" that all Hamiltonians are time independent?
10
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
10
What are the references in multi-reference methods?