Non-linear Optical Constants from Molecular hyperpolarisabilities: I. Iterative Solution of Quadratic Tensor Equations for Mutual Polarisation
نویسنده
چکیده
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fields beyond the linear approximation needs to be included. A second order tensor equation is formulated that describes this in the case of crystalline or at least locally ordered materials such as an idealised polymer. It is shown that this equation is solved by a set of recursion equations that relate the induced dipole moment, linear polarisability and first hyperpolarisability in the material to the intrinsic values of the same properties of isolated molecules. From these macroscopic susceptibility tensors up to 2 order can be calculated for the material. Current address: Applied Computing, Mathematics and Statistics Group, Lincoln University, Canterbury, NEW ZEALAND
منابع مشابه
Non-linear Optical Constants from Molecular Hyperpolarisabilities: II. Application to Donor- Acceptor molecules
The molecular polarisability and hyperpolarisability tensors of a group of donoracceptor polyene molecules are calculated using the time dependent Hartree-Fock code implemented in the MOPAC quantum chemistry program. The results agree with other theoretical and experimental calculations. The values obtained are then used to investigate mutual polarisation of collections of such molecules, e.g. ...
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