- #1
greisen
- 76
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Hi,
In the transition state of a chemical reaction defined as one imaginary eigenvalue of the hessian matrix - the size of my frequency is 1000i what can one say about the size of the imaginary frequency - is it related to energy in some way ? I have not been able to find any documents commenting on the size of the imaginary eigenvalue.
Any help or advise appreciated. Thanks in advance
In the transition state of a chemical reaction defined as one imaginary eigenvalue of the hessian matrix - the size of my frequency is 1000i what can one say about the size of the imaginary frequency - is it related to energy in some way ? I have not been able to find any documents commenting on the size of the imaginary eigenvalue.
Any help or advise appreciated. Thanks in advance