To describe mutual polarisation in bulk materials containing high polarisability molecules, local fields beyond the linear approximation need to be included. A second order tensor equation is formulated, and it 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 second order can be calculated for the material
We describe an approach to constructing an analytic Cartesian representation of the molecular dipole...
The properties of electric dipole nonlinear optical susceptibilities, hypcrpolarisabilities and tran...
In push-pull organic molecules of interest in quadratic nonlinear optical (NLO) applications, the ma...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
molecular hyperpolarisabilities: I. Iterative solution of quadratic tensor equations for mutual pola...
International audienceThe way quantum mechanical ab initio computer codes allow to compute, through ...
The Quantum Theory of Atoms in Molecules (QTAIM) to distribute the molecular polarizability tensors ...
We demonstrate a microscopy technique that extracts tensorial information about the second-order non...
We present a simple computational method to connect the computed ab initio values of static dipole p...
A method to compute distributed dipole-quadrupole polarizabilities is suggested. The method is based...
We present a new methodology, working within the framework of the Polarizable Continuum Model, that ...
Reduced equations of motion for material and radiation field variables in a molecular crystal are pr...
We present a new methodology, working within the framework of the Polarizable Continuum Model, that ...
We describe an approach to constructing an analytic Cartesian representation of the molecular dipole...
The properties of electric dipole nonlinear optical susceptibilities, hypcrpolarisabilities and tran...
In push-pull organic molecules of interest in quadratic nonlinear optical (NLO) applications, the ma...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
molecular hyperpolarisabilities: I. Iterative solution of quadratic tensor equations for mutual pola...
International audienceThe way quantum mechanical ab initio computer codes allow to compute, through ...
The Quantum Theory of Atoms in Molecules (QTAIM) to distribute the molecular polarizability tensors ...
We demonstrate a microscopy technique that extracts tensorial information about the second-order non...
We present a simple computational method to connect the computed ab initio values of static dipole p...
A method to compute distributed dipole-quadrupole polarizabilities is suggested. The method is based...
We present a new methodology, working within the framework of the Polarizable Continuum Model, that ...
Reduced equations of motion for material and radiation field variables in a molecular crystal are pr...
We present a new methodology, working within the framework of the Polarizable Continuum Model, that ...
We describe an approach to constructing an analytic Cartesian representation of the molecular dipole...
The properties of electric dipole nonlinear optical susceptibilities, hypcrpolarisabilities and tran...
In push-pull organic molecules of interest in quadratic nonlinear optical (NLO) applications, the ma...