Hydrogen molecule second-order energy

Distributed Gaussian basis sets in correlation energy studies the second order correlation energy for the ground state of the hydrogen molecule... 

The aim of this paper is ascertain whether it is possible to determine the ground state second-order correlation energy of the hydrogen molecule to sub-millihartree accuracy using a basis set containing only s-type Gaussian functions with exponents and distribution determined by an empirical, but physically motivated, procedure. 

It has been shown that the second order electron correlation energy for the ground state of the hydrogen molecule at its equilibriiun nuclear geometry can be described to an accmacy below the sub-milliHartree level using a distributed basis set of Gaussian basis subsets containing only s-type functions only. Each of the basis subsets are taken to be even-tempered sets. The distribution of the subsets is empirical but nevertheless physically motivated. 

It seems that the cavities enclose a vapor of the solute because of the high vapor pressure of these compounds. The primary reaction pathway for these compounds appears to be the thermal dissociation in the cavities. The activation energy required to cleave the bond is provided by the high temperature and pressure in the cavitation bubbles. This leads to the generation of radicals such as hydroxyl radical, peroxide radical, and hydrogen radical. These radicals then diffuse to the bulk liquid phase, where they initiate secondary oxidation reactions. The solute molecule then breaks down as a result of free-radical attack. The oxidation of target molecules by free radicals in the bulk liquid phase under normal operating pressures and temperatures can be presented by a second-order rate equation ... 

The value of the polarizability a of an atom or molecule can be calculated by evaluating the second-order Stark effect energy — %aF2 by the methods of perturbation theory or by other approximate methods. A discussion of the hydrogen atom has been given in Sections 27a and 27e (and Problem 26-1). The helium atom has been treated by various investigators by the variation method, and an extensive approximate treatment of many-electron atoms and ions based on the use of screening constants (Sec. 33a) has also been given.3 We shall discuss the variational treatments of the helium atom in detail. 

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