A Matter of Density: Exploring the Electron Density Concept by N. Sukumar

By N. Sukumar

The origins and importance of electron density within the chemical, organic, and fabrics sciences

Electron density is without doubt one of the primary techniques underlying smooth chemistry and one of many key determinants of molecular constitution and balance. it's also the fundamental variable of density useful concept, which has made attainable, in recent times, the appliance of the mathematical concept of quantum physics to chemical and organic systems.

With an equivalent emphasis on computational and philosophical questions, A subject of Density: Exploring the Electron Density thought within the Chemical, organic, and fabrics Sciences addresses the rules, research, and purposes of this pivotal chemical proposal. the 1st a part of the booklet offers a coherent and logically attached therapy of the theoretical foundations of the electron density idea. dialogue comprises using percentages in statistical physics; the origins of quantum mechanics; the philosophical questions on the center of quantum thought, like quantum entanglement; and strategies for the experimental decision of electron density distributions.

The rest of the ebook bargains with purposes of the electron density inspiration within the chemical, organic, and fabrics sciences. individuals provide insights on how a deep realizing of the origins of chemical reactivity might be gleaned from the recommendations of density useful conception. additionally mentioned are the purposes of electron density in molecular similarity research and electron density-derived molecular descriptors, akin to electrostatic potentials and native ionization energies. This part concludes with a few functions of recent density sensible conception to surfaces and interfaces.

An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this ebook bargains an exceptional examine the advance of the idea that of electron density from its inception to its position in density practical idea, which ended in the 1998 Nobel Prize in Chemistry.

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Bell [93] investigated the possibility of allowing the results of measurements on each particle to depend on the hidden variables carried by that particle and on the setting of the apparatus employed for the measurement, with the restriction that the result of a measurement on the first particle should not depend on the setting of the second, distant measuring device. This locality restriction is a consequence of Einstein’s relativity principle, whereby no physical signal can travel faster than light, in an experimental setup where the instrument settings are rapidly changed during the time of flight of the particles to the detectors, when the particles are no longer physically interacting with each other.

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