The dynamic dipole-dipole, quadrupole-quadrupole and dipole-octupole polarizabilities for the ethylene molecule have been calculated using the Kirkwood variation method. These approximate dynamic polarizabilities are used to calculate the R and R terms of the dispersion interaction between two ethylene molecules. The agreement with more elaborate calculations is encouraging
This work presents first-principles calculations of long-range intermolecular dispersion energies be...
Effective states arising from variational perturbation calculations in a full configuration interact...
Two additive schemes for resolving average molecular electric dipole polarizabilities into atomic co...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The method of orbital interaction describing the intermolecular interaction is reformulated in terms...
We report on calculations of the dipole-dipole dispersion coefficients for pairs of n -alkane molecu...
The R–7 term (E7) in the dispersion expansion is developed in the framework of the general effective...
International audienceThe interaction potential energy and the interaction-induced dipole moment sur...
International audienceThe interaction potential energy and the interaction-induced dipole moment sur...
An additive scheme for resolving average molecular electric dipole polarizabilities into atomic cont...
An additive scheme for resolving average molecular electric dipole polarizabilities into atomic cont...
Calculations of the dynamic dipole, quadrupole, and octopole polarizabilities of Ne, Ar, Kr, and Xe ...
This work presents first-principles calculations of long-range intermolecular dispersion energies be...
Effective states arising from variational perturbation calculations in a full configuration interact...
Two additive schemes for resolving average molecular electric dipole polarizabilities into atomic co...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The point dipole interaction model for molecular polarizability recently proposed by Applequist, Car...
The method of orbital interaction describing the intermolecular interaction is reformulated in terms...
We report on calculations of the dipole-dipole dispersion coefficients for pairs of n -alkane molecu...
The R–7 term (E7) in the dispersion expansion is developed in the framework of the general effective...
International audienceThe interaction potential energy and the interaction-induced dipole moment sur...
International audienceThe interaction potential energy and the interaction-induced dipole moment sur...
An additive scheme for resolving average molecular electric dipole polarizabilities into atomic cont...
An additive scheme for resolving average molecular electric dipole polarizabilities into atomic cont...
Calculations of the dynamic dipole, quadrupole, and octopole polarizabilities of Ne, Ar, Kr, and Xe ...
This work presents first-principles calculations of long-range intermolecular dispersion energies be...
Effective states arising from variational perturbation calculations in a full configuration interact...
Two additive schemes for resolving average molecular electric dipole polarizabilities into atomic co...