A spherical tensor theory of molecular multiple moments and molecular polarizabilities is developed. It is shown that the spherical tensor form has several advantages over the traditional cartesian form. These include the standardization of notation when higher order interactions are considered, the simplicity of their transformation properties and the ease in which their irreducible components can be constructed. An appendix showing the explicit relations between the cartesian and spherical forms is also given for the most commonly occurring cases. © 1976. Published by Elsevier
ABSTRACT. The ab initio calculation of molecular dipole moments, polar-izabilities and their geometr...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
The multipole expansion of the retarded interatomic dispersion energy is evaluated in the spherical-...
A finite field method for calculating spherical tensor molecular polarizability tensors αlm;l′m′ = ∂...
We describe an approach to constructing an analytic Cartesian representation of the molecular dipole...
I report on the derivation, development and computer implementation of methods for computing the ene...
A method to compute distributed dipole-quadrupole polarizabilities is suggested. The method is based...
A model is developed to describe trends in molecular properties such as electric dipole moment, pola...
The theory of intermolecular forces has advanced very greatly in recent years. It has become possibl...
A partition of the atomic polar tensor (APT) into charge, charge flux, and atomic and homopolar dipo...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
The tensor of the moment of inertia for polyatomic molecules is presented, discussed, and illustrate...
Classically, there have been two different ways to obtain mean-field theories for liquid crystals. O...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different mo...
ABSTRACT. The ab initio calculation of molecular dipole moments, polar-izabilities and their geometr...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
The multipole expansion of the retarded interatomic dispersion energy is evaluated in the spherical-...
A finite field method for calculating spherical tensor molecular polarizability tensors αlm;l′m′ = ∂...
We describe an approach to constructing an analytic Cartesian representation of the molecular dipole...
I report on the derivation, development and computer implementation of methods for computing the ene...
A method to compute distributed dipole-quadrupole polarizabilities is suggested. The method is based...
A model is developed to describe trends in molecular properties such as electric dipole moment, pola...
The theory of intermolecular forces has advanced very greatly in recent years. It has become possibl...
A partition of the atomic polar tensor (APT) into charge, charge flux, and atomic and homopolar dipo...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
The tensor of the moment of inertia for polyatomic molecules is presented, discussed, and illustrate...
Classically, there have been two different ways to obtain mean-field theories for liquid crystals. O...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different mo...
ABSTRACT. The ab initio calculation of molecular dipole moments, polar-izabilities and their geometr...
To describe mutual polarisation in bulk materials containing high polarisability molecules, local fi...
The multipole expansion of the retarded interatomic dispersion energy is evaluated in the spherical-...