Journal ArticleDOI
Born-Mayer interatomic potential for atoms with Z = 2 to Z = 36
V.I. Gaydaenko,V.K. Nikulin +1 more
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In this article, the potentials for pairs of like neutral ground-state atoms are calculated on the basis of the statistical theory, the electron densities of atoms being taken from free-atom Hartree-Fock (HF) calculations.About:
This article is published in Chemical Physics Letters.The article was published on 1970-11-01. It has received 115 citations till now. The article focuses on the topics: Interatomic potential & Buckingham potential.read more
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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.
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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.
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Improved potentials for Ne + Ar, Ne + Kr, and Ne + Xe
TL;DR: Improved interatomic potentials for rare gas pairs were obtained by fitting a multiparameter potential to low energy differential cross sections, second virial coefficients, and diffusion coefficients.
Journal ArticleDOI
Interatomic repulsion softness directly controls the fragility of supercooled metallic melts.
TL;DR: A linear relationship is found between the fragility and the energy scales of both the screened Coulomb and the electron overlap repulsions and this relationship opens up opportunities to fabricate alloys with tailored thermoelasticity and fragility by rationally tuning the chemical composition of the alloy according to general principles.
References
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Single‐Configuration Wavefunctions and Potential Curves for the Ground States of He2, Ne2, and Ar2
T. L. Gilbert,Arnold C. Wahl +1 more
TL;DR: In this paper, potential energy curves for He2, Ne2, and Ar2 using single configuration wavefunctions constructed from molecular orbitals are calculated for each of the three types of wave functions.
Related Papers (5)
Born-Mayer-Type Interatomic Potential for Neutral Ground-State Atoms with Z=2 to Z=105
Single‐Configuration Wavefunctions and Potential Curves for the Ground States of He2, Ne2, and Ar2
T. L. Gilbert,Arnold C. Wahl +1 more