Journal ArticleDOI
A theory for the interactions between closed shell systems
Reads0
Chats0
TLDR
In this article, a recent theory for intermolecular interactions is modified by the exclusion of a self-exchange contribution and the inclusion of dispersive inter-interactions.About:
This article is published in Chemical Physics Letters.The article was published on 1973-02-15. It has received 86 citations till now. The article focuses on the topics: Quantum-mechanical explanation of intermolecular interactions & Intermolecular force.read more
Citations
More filters
Journal ArticleDOI
Dispersion-Corrected Mean-Field Electronic Structure Methods.
TL;DR: This Review describes the recent developments (including some historical aspects) of dispersion corrections with an emphasis on methods that can be employed routinely with reasonable accuracy in large-scale applications.
Journal ArticleDOI
Short range force effects in semiclassical molecular line broadening calculations
D. Robert,J. Bonamy +1 more
TL;DR: In this article, a semiclassical theory of the width and shift of isolated infrared and Raman lines in the gas phase is developed within the impact approximation, and a parabolic trajectory model determined by the isotropic part of the interaction potential allows a satisfactory treatment to be made of the close collisions leading to an analytical expression for the elastic collision cross section.
Journal ArticleDOI
Defect energetics in α - Al 2 O 3 and rutile Ti O 2
TL;DR: In this article, a theoretical survey of defect energy properties of pure and doped anisotropic crystals is presented, and the effect of oxygen partial pressure on the defect structure of this material is discussed.
Journal ArticleDOI
The electronic states of Ar + 2 , Kr + 2 , Xe + 2 . I. Potential curves with and without spin-orbit coupling
TL;DR: In this article, the low-lying states of Ar+2, Kr+2 and Xe+2 have been investigated using the POL CI method using a simple atoms-in-molecule approach.
Journal ArticleDOI
Intermolecular potential surfaces from electron gas methods. I. Angle and distance dependence of the He–CO2 and Ar–CO2 interactions
TL;DR: In this paper, angle dependent intermolecular potential energy surfaces suitable for use in studies of rotationally inelastic collisions of rigid linear CO2 with Ar and He are calculated using the electron gas model to obtain the short range interactions and join them smoothly to the long range van der Waals tails of the preceding paper.
References
More filters
Journal ArticleDOI
Theory for the Forces between Closed‐Shell Atoms and Molecules
Roy G. Gordon,Yung Sik Kim +1 more
TL;DR: In this paper, a simple model is presented for calculating the forces between closed-shell atoms and molecules in the regions both of the attractive well and of the repulsive wall at shorter distances.
Journal ArticleDOI
Intermolecular Potentials from Crossed-Beam Differential Elastic Scattering Measurements. IV. Ar+Ar
TL;DR: In this article, high-resolution low-energy elastic differential cross sections have been measured for Ar-Ar over a wide angular range and Rainbow structure as well as symmetry oscillations at wide angels were resolved.
Journal ArticleDOI
Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. III. He+He and Ne+Ne
TL;DR: In this article, high-resolution differential cross sections for elastic scattering extending to wide scattering angles for He-He and Ne-Ne have been measured at two collision energies in the thermal range.
Journal ArticleDOI
Calculation of Coefficients in the Power Series Expansion of the Long‐Range Dispersion Force between Atoms
George Starkschall,Roy G. Gordon +1 more
TL;DR: By applying an Unsold approximation to the expression for the second-order perturbation energy between two atoms and assuming no overlap of charge distributions, the authors derived an expression for C2n, the coefficient of the R−2n term in the attractive potential, in terms of C6 and groundstate averages of even powers of the electron-nucleus distance in the isolated atom.
Journal ArticleDOI
Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. V. The Attractive Well of He2
James M. Farrar,Y. T. Lee +1 more
TL;DR: In this article, the van der Waals well of the helium pair potential has been studied by crossed molecular beam elastic scattering measurements, and a multiparameter potential function is used to construct the interatomic potential from experimental results.
Related Papers (5)
Modified statistical method for intermolecular potentials. Combining rules for higher van der Waals coefficients
James S. Cohen,Russell T Pack +1 more