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About the Questions category
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1
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19
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July 1, 2020
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SOC between lowest lying singlet and triplet excited state
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1
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1
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October 23, 2020
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Molden file for an excited state
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2
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13
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October 23, 2020
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Insuffcient virtual memory
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3
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14
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October 23, 2020
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Composite QM methods
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2
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27
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October 11, 2020
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Unable to allocate requested memory in mega_alloc
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2
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30
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October 10, 2020
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AIMD for reaction
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3
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50
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October 9, 2020
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How to run Q-Chem on Azure Cloud
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1
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42
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September 29, 2020
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How to set up a QM/MM-Ewald calculation
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2
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57
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September 8, 2020
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QM/MM energies within ONIOM and Janus schemes
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3
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74
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September 4, 2020
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QM/MM optimization
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4
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109
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August 11, 2020
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Size of molecular systems for NTOs analysis in TPA
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7
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78
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August 10, 2020
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Is it valid to use MOs other than canonical HF orbitals to run EOM-CC calculations
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4
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95
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July 13, 2020
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How are densities (and spin densities) plotted in EOM calculations?
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3
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58
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July 8, 2020
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Is FNO approximation applicable to EOM-EE-CCSD?
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3
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55
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July 7, 2020
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Resonances with projected-CAP
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2
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57
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July 7, 2020
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What to do if Q-Chem can't determine orbital irrep?
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2
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98
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July 5, 2020
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How to plot diffuse orbitals in IQmol?
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2
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63
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July 4, 2020
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