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Matter Modeling
Hans Wurst's user avatar
Hans Wurst's user avatar
Hans Wurst's user avatar
Hans Wurst
  • Member for 5 years
  • Last seen more than a week ago
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Top posts

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17
Can you estimate the electronic excited state lifetime of a molecule?
Mar 26, 2021
10
Transformation between two different sets of molecular vibrational normal coordinate systems
May 15, 2021
10
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
May 7, 2021
10
What are the references in multi-reference methods?
Aug 7, 2021
9
Quantum Chemistry software that can calculate nonadiabatic coupling vectors between excited states using DFT/TDDFT
Apr 12, 2023
8
What is the Hamiltonian in the adiabatic connection?
Apr 5, 2024
8
How are molecular rotational states modeled within the Born Oppenheimer Approximation for polyatomic molecules?
Apr 15, 2021
5
Reconciling the units of the "intensity" of an electric field and the "intensity" of a spectrum
Sep 25, 2025
4
How may I calculate the bond length between two atoms?
Apr 27, 2021
4
How can I distinguish between n, pi, pi* orbitals when looking for excited states?
Jun 16, 2022

Top network posts

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14
Exact relationship between electric field and intensity
13
What's wrong with this "proof" that all Hamiltonians are time independent?
9
What is the difference between a configuration state function and a Slater determinant?
9
What is meant when we say that a differential takes on a certain value?
9
Oscillator Strength and Absorption Intensity in TDDFT