vibrational_modes
Differences
This shows you the differences between two versions of the page.
| Next revision | Previous revision | ||
|
vibrational_modes [2010/03/09 13:22] vlada created |
vibrational_modes [2014/09/12 15:41] |
||
|---|---|---|---|
| Line 1: | Line 1: | ||
| - | =====Vibrational modes===== | + | |
| - | In this section we describe how to calculatethe vibrational modes of molecules using Hessian matrix. | + | |
| - | the Hessian matrix is the matrix of the second derivatives of energies with respect to geometry. | + | |
| - | Vibrational modes are eigen values of the Hessian matrix. | + | |
vibrational_modes.txt · Last modified: 2014/09/12 15:41 (external edit)
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Noncommercial-Share Alike 4.0 International
