The van der Waals Interaction of Hydrogen Atoms

Pauling, Linus; Beach, J. Y.

doi:10.1103/physrev.47.686

Cited by 128 publications

(34 citation statements)

References 6 publications

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“…similar to (6) and (7) For the helium atom interaction, for instance, equations may be used for any spherically symmetric H e 1s wave functions, $Hea and in which , where h ( r l , r 2 , r 2 , , R) = H'(l,Z)H'(l,Z') and C(r, , r 2 , r 2 , , R ) is a symmetric function with respect to r2 and r 2 , , given for the range r2 > r2' by , r 2 , r 2 , , R ) …”

Section: Two Helium Atom Interactionmentioning

confidence: 66%

“…I t should be noticed, as was pointed out by Dalgarno and Lewis [4], that (5a) provides a very good approximation to an "accurate" (so long as H' in (1) is approximated by the first three terms in the multipolar expansion) variational calculation obtained first by Pauling and Beach [6], and recently by Hirschfelder and Lowdin [ 7 ] , and by others [8]. Thisresult may imply that theabove-mentioned choice of (AE),, is appropriate.…”

Section: T W O Hydrogen Atom Interactionmentioning

confidence: 91%

“…These are easily calculated in the same way as (6) and (7) (16) is employed, the result is simply written as (17) and (18) + ( …”

Section: Two Helium Atom Interactionmentioning

confidence: 99%

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A note on the theory of interatomic long‐range forces

Fukui

Yamabe

1968

Int J of Quantum Chemistry

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AbstractsA comment is made on the multipolar expansion formula of the long-range force between hydrogen atoms previously obtained. The second-order perturbation energy neglecting exchange in the framework of the Unsold approximation is evaluated exactly. An extension is made to helium atoms, and to other s-electron interactions. An approximate method is suggested to estimate the interatomic force between two atoms in general.On fait un commentaire sur un dtveloppement multipolaire de la force A longue portee entre deux atomes d'hydroghe, obtenu anterieurement. L'energie de perturbation du second ordre sans Cchange, est calculte exactement dans le cadre de I'approximation de Unsold. On traite aussi deux atomes de hClium ainsi que d'autres interactions d'tlectrons de type s. On propose une methode approximative pour estimer la force interatomique entre deux atomes en gtnkral.Es wurde eine Bemerkung uber eine vorher erhaltene Multipolentwicklung der zwischenatomaren Kraft zwei entfernter Wasserstoffatomen gemacht. Die Storungsenergie zweiter Ordnung ohne Austausch wurde im Rahmen der Unsoldapproximation genau ausgewertet. Eine Erweiterung wurde an Heliumatome und andere s-Elektronwechselwirkungen gemacht. Eine annahernde Methode fur die Abschatzung der interatomaren Kraft zwischen zwei Atomen wird vorgeschlagen.

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Section: Two Helium Atom Interactionmentioning

confidence: 66%

Section: T W O Hydrogen Atom Interactionmentioning

confidence: 91%

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A note on the theory of interatomic long‐range forces

Fukui

Yamabe

1968

Int J of Quantum Chemistry

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“…The wave function (6) respects these considerations but has only four parameters for convenience of analytical resolution. This four-parameter function is far from the 26-order secular equation of Pauling and Beach [27] or more recent multiparameter wave functions. But this should be done for a more extensive study than a qualitative discussion.…”

Section: Discussion Of the Methodsmentioning

confidence: 90%

Nonadditive triple-dipole interaction in D3h configuration by variational method: Results of a hard-sphere model and a confined model

Weislinger

2009

Int. J. Quantum Chem.

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A model calculation is presented for a study of induction energy of three dipoles located at the vertices of an equilateral triangle, with application to rare-gas atoms and heliumlike ions. The model approach is given with parts which can easily be improved. We preferred the variational method which yields the whole energy in one step, contrary to the perturbation method. The trial wave function respects D3h symmetry. The zero-order wave functions of the systems are assumed to have spherical symmetry when located at the vertices of the triangle. Then the induction energy is expressed in terms of the expectation value of the square sum of electron coordinates which can be obtained in different ways and to which it is very sensitive. The expansion of the nonadditive part of induction energy for long-range distances yields Axilrod-Teller's formula. A semiempirical model with confinement of electron clouds is tested on (Li+)3, showing that repulsion lowers the nonadditivity. Rough results can quickly be obtained for qualitative interpretation by semiempirical use of experimental polarizability data, even for large systems.

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“…. (8) e<n> = -3 ~~~ = e~> +A<n'·F +On': F' +... (9) where p.~' = (n /PI n) and eg~' = (n l8jn) are the permanent dipole and quadrupole moments and…”

Section: The Llieory Of Long Range Interactionsmentioning

confidence: 99%

Intermolecular forces

Buckingham¹

1970

Pure and Applied Chemistry

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The generalnature ofmolecular interactions is discussed; a molecule is defined as an atom or group of atoms whose binding energy is much larger than the thermal energy kT. The interaction energy is broken down into electrostatic, induction, dispersion, resonance and overlap energies. The theory of the longrange interaction energy is developed using quantum mechanical perturbation methods, and the electrostatic, induction and dispersion energies written in terms of the free-molecule electric moments and polarizabilities. The theory of short-range overlap forces is briefly considered. Various manifestations of intermolecular forces are discussed, including equilibrium properties of fluids, the structure of crystals and large molecules, spectroscopic properties, molecular bearn scattering, chemical effects and forces between macroscopic bodies.

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The van der Waals Interaction of Hydrogen Atoms

Cited by 128 publications

References 6 publications

A note on the theory of interatomic long‐range forces

A note on the theory of interatomic long‐range forces

Nonadditive triple-dipole interaction in D3h configuration by variational method: Results of a hard-sphere model and a confined model

Intermolecular forces

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