Quantentheorie des Wasserstoffmolek�lions und der Born-Land�schen Absto�ungskr�fte

Unsöld, Albrecht

doi:10.1007/bf01397633

Cited by 243 publications

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“…It is a common practice to analyze the polarizabilities of spherically confined systems simultaneously with the approximations proposed by Kirkwood (α K ), Buckingham (α B ) and Unsöld (α U ). [41][42][43] (see eg, relations (14,16,19) in Ref. [44] and the history of the problem in Ref.…”

Section: Polarizability Approximations In R Dmentioning

confidence: 99%

On the shell‐confined atom problem

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Montgomery

2018

Int J of Quantum Chemistry

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The properties of spherically symmetric, one‐electron atomic systems are analyzed for the systems where the electron is placed in the region between two impenetrable concentric spheres of radii Rint and Rext. The changes in the structure of the energy levels of low‐lying electron states and the corresponding variations in radial wave functions are analyzed for different types of changes in Rint and Rext. Special attention is paid to the changes in electric dipole polarizability for problems with varied dimension, D, of the space. The form and the quality of some simple classical estimates for polarizability are also studied for various space dimensions.

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Section: Polarizability Approximations In R Dmentioning

confidence: 99%

On the shell‐confined atom problem

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Montgomery

2018

Int J of Quantum Chemistry

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“…If r i is measured relative to the center of mass of molecules 1 and 2, then the distance R is equal to the distance between the centers of gravity of the molecules. Expression (5) is simplified by the transformation [20,27,28]:…”

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confidence: 99%

Dispersion interactions, electronic absorption spectra of anthracenes in polar glassy media at 77–300 K, and the change in polarizability upon excitation

Pavlovich

2007

J Appl Spectrosc

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The effect of dispersion interactions on the electronic spectra of organic compounds is analyzed within second-order perturbation theory. A formula is obtained which makes is possible to determine the change in the polarizability of the molecules upon excitation, ∆α eg , using data on the effect of the bulk polarizability P n of the solvent on the position of the electronic spectrum. It is shown that when the solutions are cooled, the long-wavelength shift of the absorption spectra for the studied anthracenes in alcohols is mainly due to dispersion interactions and is caused by an increase in P n . The possibility of using the new formula for ∆α eg is demonstrated for anthracenes as an example. It is found that for anthracene, 1-chloroanthracene, 9,10-dichloroanthracene, 9,10-dibromoanthracene, 9,10-diiodoanthracene ∆α eg is 16.5, 16.9, 17.2, 18.6, and 20.2 Å 3 respectively.

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“…Second order perturbation theory calculations on the hydrogen molecular ion was, later in 1927, performed by A. Unsöld (Unsöld, 1927), who obtained numerical estimates (R eq ≈ 1a 0 , W ≈ −16.31 eV) in partial good agreement with the above results.…”

Section: Quantum Molecular Computations and Thementioning

confidence: 59%

The Genesis of the Quantum Theory of the Chemical Bond

Esposito¹,

Naddeo²

2014

AHS

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An historical overview is given of the relevant steps that allowed the genesis of the quantum theory of the chemical bond, starting from the appearance of the new quantum mechanics and following later developments till approximately 1931. General ideas and some important details are discussed concerning molecular spectroscopy, as well as quantum computations for simple molecular systems performed within perturbative and variational approaches, for which the BornOppenheimer method provided a quantitative theory accounting for rotational, vibrational and electronic states. The novel concepts introduced by the Heitler-London theory, complemented by those underlying the method of the molecular orbitals, are critically analyzed along with some of their relevant applications. Further improvements in the understanding of the nature of the chemical bond are also considered, including the ideas of one-electron and three-electron bonds introduced by Pauling, as well as the generalizations of the Heitler-London theory firstly performed by Majorana, which allowed the presence of ionic structures into homopolar compounds and provided the theoretical proof of the stability of the helium molecular ion. The study of intermolecular interactions, as developed by London, is finally examined.

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Quantentheorie des Wasserstoffmolek�lions und der Born-Land�schen Absto�ungskr�fte

Cited by 243 publications

References 0 publications

On the shell‐confined atom problem

On the shell‐confined atom problem

Dispersion interactions, electronic absorption spectra of anthracenes in polar glassy media at 77–300 K, and the change in polarizability upon excitation

The Genesis of the Quantum Theory of the Chemical Bond

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