Read e-book online Intermolecular Interactions: Physical Picture, Computational PDF

By Ilya G. Kaplan

the topic of this booklet — intermolecular interactions — is as vital in physics as in chemistry and molecular biology. Intermolecular interactions are accountable for the lifestyles of beverages and solids in nature. They be certain the actual and chemical homes of gases, beverages, and crystals, the steadiness of chemical complexes and organic compounds.

In the 1st chapters of this ebook, the targeted qualitative description of alternative varieties of intermolecular forces at huge, intermediate and short-range distances is gifted. For the 1st time within the monographic literature, the temperature dependence of the dispersion forces is mentioned, and it really is proven that at finite temperatures the recognized Casimir-Polder asymptotic formulation is true merely at slim distance diversity. the writer has aimed to make the presentation comprehensible to a large scope of readers with out oversimplification. In bankruptcy three, the tools of quantitative calculation of the intermolecular interactions are mentioned and smooth achievements are provided. This bankruptcy could be priceless for scientists acting desktop calculations of many-electron systems.

The final chapters are dedicated to the many-body results and version potentials. greater than 50 version potentials exploited for processing experimental facts and machine simulation in several fields of physics, chemistry and molecular biology are represented. the commonly used worldwide optimisation equipment: simulated annealing, diffusion equation approach, basin-hopping set of rules, and genetic set of rules are defined in detail.

Significant efforts were made to provide the booklet in a self-sufficient approach for readers. the entire beneficial mathematical gear, together with vector and tensor calculus and the weather of the gang concept, in addition to the most tools used for quantal calculation of many-electron platforms are offered within the appendices.

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Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials (Wiley Series in Theoretical Chemistry) by Ilya G. Kaplan

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