Determination of dielectric dispersion by two methods and application to calculations of van der Waals forces

1974 ◽  
Vol 49 (2) ◽  
pp. 196-203 ◽  
Author(s):  
Shlomo Nir ◽  
Steven Adams ◽  
Robert Rein
Author(s):  
C. A. Coulson

The calculation of Van der Waals forces has acquired considerable interest recently through the work of Buckingham, Knipp and others (Buckingham, 1937; Knipp, 1939). In these papers the interaction energy between two atoms is expressed as a power series in i/R, where R is the nuclear separation, and the various terms in this series are known as dipole-dipole, dipole-quadrupole, quadrupole-quadrupole, etc… interactions. In most cases only approximate values are obtainable for the coefficients in this series, though for two hydrogen atoms in their ground states, Pauling and Beach (1935) have determined the magnitudes correct to about I in 106. In this paper we discuss the simplest possible problem of this nature, i.e. the force between a bare proton and a normal unexcited hydrogen atom. We shall show that a rigorous determination of the coefficients in the power series can be made.


Nature ◽  
1936 ◽  
Vol 138 (3480) ◽  
pp. 77-77 ◽  
Author(s):  
H. S. W. MASSEY ◽  
R. A. BUCKINGHAM

The quantum theory has provided a means of calculating the interaction energies of two atoms by a perturbation method. It appears that, the short range interaction forces are due mainly to electron exchange phenomena between the two atoms, while the van der Waals forces arise from mutual polarization effects. The theory gives the first of these forces in the first approximation, while the van der Waals forces appear only in the second approximation, At large distances, where the interaction is small, it is somewhat surprising that the first approximation is not sufficient, and one is led to doubt the accuracy of the method when applied at distances at which the first and second approximations give comparable results. At these distances the mutual potential energy is comparable with the mean kinetic energy of a gas atom at ordinary temperatures, and it is therefore clear that a study of gas-kinetic collision phenomena should provide a satisfactory test of the validity of the perturbation method in this region. It is the object of this paper to carry out a number of calculations with this aim in view. In a previous paper the quantum theory of collisions was applied to gas-kinetic collisions, and it was shown that, although the classical theory can be used with accuracy to determine the law of force from viscosity and diffusion phenomena associated with heavy gases, it cannot he applied with safety to hydrogen and helium. The method to he used in such cases was given, and it was also shown that the existence of a definite total collision area—a feature of the quantum theory of scattering by a centre of force, the potential of which falls of more rapidly than r -2 at large distances—provides a further means of determining the law of force. As this collision area can now be directly measured with accuracy by molecular ray experiments, the range of applicability of tins method is considerably greater than that of methods based on transport phenomena.


Nature ◽  
1968 ◽  
Vol 217 (5130) ◽  
pp. 739-740 ◽  
Author(s):  
D. A. HAYDON ◽  
J. L. TAYLOR

2020 ◽  
Author(s):  
Daniel B. Straus ◽  
Robert J. Cava

The design of new chiral materials usually requires stereoselective organic synthesis to create molecules with chiral centers. Less commonly, achiral molecules can self-assemble into chiral materials, despite the absence of intrinsic molecular chirality. Here, we demonstrate the assembly of high-symmetry molecules into a chiral van der Waals structure by synthesizing crystals of C<sub>60</sub>(SnI<sub>4</sub>)<sub>2</sub> from icosahedral buckminsterfullerene (C<sub>60</sub>) and tetrahedral SnI4 molecules through spontaneous self-assembly. The SnI<sub>4</sub> tetrahedra template the Sn atoms into a chiral cubic three-connected net of the SrSi<sub>2</sub> type that is held together by van der Waals forces. Our results represent the remarkable emergence of a self-assembled chiral material from two of the most highly symmetric molecules, demonstrating that almost any molecular, nanocrystalline, or engineered precursor can be considered when designing chiral assemblies.


Small ◽  
2021 ◽  
pp. 2102585
Author(s):  
Sofie Cambré ◽  
Ming Liu ◽  
Dmitry Levshov ◽  
Keigo Otsuka ◽  
Shigeo Maruyama ◽  
...  

2021 ◽  
Vol 154 (19) ◽  
pp. 194302
Author(s):  
Jean Demaison ◽  
Natalja Vogt ◽  
Yan Jin ◽  
Rizalina Tama Saragi ◽  
Marcos Juanes ◽  
...  

RSC Advances ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 1916-1927
Author(s):  
Jianmei Huang ◽  
Qiang Wang ◽  
Pengfei Liu ◽  
Guang-hui Chen ◽  
Yanhui Yang

The evolution of the interface and interaction of h-BN and graphene/h-BN (Gr/h-BN) on Cu(111)–Ni and Ni(111)–Cu surface alloys versus the Ni/Cu atomic percentage on the alloy surface were comparatively studied by DFT-D2, including critical long-range van der Waals forces.


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