Chemistry
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Hans Wurst
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The Autobiographer Badge forced me to write this. Resistance was futile.

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All Questions Answers
Score Newest
answer
9
Oscillator Strength and Absorption Intensity in TDDFT
May 12, 2021
question
8
What is the difference between a configuration state function and a Slater determinant?
Mar 29, 2019
question
6
Is any symmetry element conserved during a supra-antarafacial cyclo addition of two cis-butadiene units
Jun 26, 2019
answer
6
Why is chemistry based on rules and exceptions when everything can be simulated?
Sep 25, 2021
question
5
How are the LCAO ansatz and Slater determinant ansatz for the wavefunction connected?
Aug 30, 2018
answer
5
How is the vibration of multiple atoms treated in vibrational spectroscopy?
Jul 27, 2021
answer
4
Computational determination of the diagram of molecular orbitals of a polyatomic chemical species
Jul 18, 2021
answer
4
Why are anti bonding orbitals distorted towards the less electronegative element?
Dec 3, 2021
answer
3
How are the energies of natural atomic orbitals calculated when they are, strictly speaking, not "meaningful" wavefunctions?
Dec 4, 2021
answer
3
Why is the momentum of the wave function in a 1-D particle-in-a-box = 0?
Feb 28
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15
Can you estimate the electronic excited state lifetime of a molecule?
13
What's wrong with this "proof" that all Hamiltonians are time independent?
12
Exact relationship between electric field and intensity
10
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
10
Transformation between two different sets of molecular vibrational normal coordinate systems

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