Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates

@inproceedings{Luis2000DeterminationOV,
  title={Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates},
  author={Josep M. Luis and Bernard Kirtman},
  year={2000}
}
An analytical set of field-induced coordinates ~FICs! is defined. It is shown that, instead of 3 N 26 normal coordinates, a relatively small number of FICs is sufficient to describe the vibrational polarizability and hyperpolarizabilities due to nuclear relaxation. The fact that the number of FICs does not depend upon the size of the molecule leads to… CONTINUE READING