| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Size of molecular systems for NTOs analysis in TPA |
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6 | 774 | August 10, 2020 |
| Simulating Photoelectron Spectroscopy using Q-Chem with ezDyson and ezSpectrum |
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| How to get quality graphics from IQmol |
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0 | 3688 | July 9, 2020 |
| How to simulate valence-to-core X-ray emission spectroscopy (VtC-XES) with TDDFT and MOM |
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0 | 1113 | July 6, 2020 |
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0 | 1876 | July 6, 2020 |
| Is FNO approximation applicable to EOM-EE-CCSD? |
|
2 | 696 | July 7, 2020 |
| Resonances with projected-CAP |
|
1 | 596 | July 7, 2020 |
| What to do if Q-Chem can't determine orbital irrep? |
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1 | 1533 | July 5, 2020 |
| How to plot diffuse orbitals in IQmol? |
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1 | 840 | July 4, 2020 |
| How to use single precision in CC/EOM-CC calculations |
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0 | 784 | July 4, 2020 |
| How to troubleshoot EOM calculations |
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0 | 843 | July 3, 2020 |
| Welcome to Q-Chem Talk |
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3 | 1957 | November 22, 2024 |
| Announcing Q-Chem 5.3 |
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0 | 1100 | July 1, 2020 |