Timeline for Calculate Hessian for configurations that are not at the minimum of the Potential Energy Surface
Current License: CC BY-SA 4.0
5 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Jun 8, 2022 at 3:23 | comment | added | andy90 | Thanks for the answer! | |
| Jun 8, 2022 at 3:19 | vote | accept | andy90 | ||
| Jun 7, 2022 at 15:11 | comment | added | Elie H | Indeed ! Of course ProfM will answer a Vibrations question ! | |
| Jun 7, 2022 at 15:00 | comment | added | ProfM | Just a tiny detail: the eigenvalues of the Hessian are indeed positive or negative depending on the local curvature, but the vibrational frequencies, which are the square root of the eigenvalues, are positive or imaginary. | |
| Jun 7, 2022 at 13:31 | history | answered | Elie H | CC BY-SA 4.0 |