The relationship between global softness and static dipole polarizability is explored from the analogy of the spherical averages defined within density functional theory. A cubic relationship is obtained that is consistent with the experimental observation for atoms. The relationship is found to hold reasonably well for similarly bonded molecules
Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules ...
cited By 14International audienceTwo medium-size silicon clusters, namely, Si9 and Si12, have been u...
A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different mo...
The relations between the atomic softness and the atomic electric dipole polarizability are studied,...
Various density functionals have been tested in calculating atomic and molecular dipole polarizabili...
Static polarizabilities are the first response of the electron density to electric fields, and are t...
Static polarizabilities are the first response of the electron density to electric fields, and are t...
Static polarizabilities are the first response of the electron density to electric fields, and are t...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules ...
Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules ...
cited By 14International audienceTwo medium-size silicon clusters, namely, Si9 and Si12, have been u...
A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different mo...
The relations between the atomic softness and the atomic electric dipole polarizability are studied,...
Various density functionals have been tested in calculating atomic and molecular dipole polarizabili...
Static polarizabilities are the first response of the electron density to electric fields, and are t...
Static polarizabilities are the first response of the electron density to electric fields, and are t...
Static polarizabilities are the first response of the electron density to electric fields, and are t...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
The notion of the electric dipole polarizability density function of atoms and molecules has been co...
Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules ...
Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules ...
cited By 14International audienceTwo medium-size silicon clusters, namely, Si9 and Si12, have been u...
A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different mo...