Quantum chemistry in the context of "Quantum mechanical"

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⭐ Core Definition: Quantum chemistry

Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties. Quantum chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics.

Chemists rely heavily on spectroscopy through which information regarding the quantization of energy on a molecular scale can be obtained. Common methods are infra-red (IR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and scanning probe microscopy. Quantum chemistry may be applied to the prediction and verification of spectroscopic data as well as other experimental data.

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Quantum chemistry in the context of Physics

Physics is the scientific study of matter, its fundamental constituents, its motion and behavior through space and time, and the related entities of energy and force. It is one of the most fundamental scientific disciplines. A scientist who specializes in the field of physics is called a physicist.

Physics is one of the oldest academic disciplines. Over much of the past two millennia, physics, chemistry, biology, and certain branches of mathematics were a part of natural philosophy, but during the Scientific Revolution in the 17th century, these natural sciences branched into separate research endeavors. Physics intersects with many interdisciplinary areas of research, such as biophysics and quantum chemistry, and the boundaries of physics are not rigidly defined. New ideas in physics often explain the fundamental mechanisms studied by other sciences and suggest new avenues of research in these and other academic disciplines such as mathematics and philosophy.

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Quantum chemistry in the context of Quantum optics

Quantum optics is a branch of atomic, molecular, and optical physics and quantum chemistry that studies the behavior of photons (individual quanta of light). It includes the study of the particle-like properties of photons and their interaction with, for instance, atoms and molecules. Photons have been used to test many of the counter-intuitive predictions of quantum mechanics, such as entanglement and teleportation, and are a useful resource for quantum information processing.

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Quantum chemistry in the context of Photoelectron

The photoelectric effect is the emission of electrons from a material caused by electromagnetic radiation such as ultraviolet light. Electrons emitted in this manner are called photoelectrons. The phenomenon is studied in condensed matter physics, solid state, and quantum chemistry to draw inferences about the properties of atoms, molecules and solids. The effect has found use in electronic devices specialized for light detection and precisely timed electron emission.

The experimental results disagree with classical electromagnetism, which predicts that continuous light waves transfer energy to electrons, which would then be emitted when they accumulate enough energy. An alteration in the intensity of light would theoretically change the kinetic energy of the emitted electrons, with sufficiently dim light resulting in a delayed emission. The experimental results instead show that electrons are dislodged only when the light exceeds a certain frequency—regardless of the light's intensity or duration of exposure. Because a low-frequency beam at a high intensity does not build up the energy required to produce photoelectrons, as would be the case if light's energy accumulated over time from a continuous wave, Albert Einstein proposed that a beam of light is not a wave propagating through space, but discrete energy packets, which were later popularised as photons by Gilbert N. Lewis.

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Quantum chemistry in the context of Quantum mechanics

Quantum mechanics is the fundamental physical theory that describes the behavior of matter and of light; its unusual characteristics typically occur at and below the scale of atoms. It is the foundation of all quantum physics, which includes quantum chemistry, quantum biology, quantum field theory, quantum technology, and quantum information science.

Quantum mechanics can describe many systems that classical physics cannot. Classical physics can describe many aspects of nature at an ordinary (macroscopic and (optical) microscopic) scale, but is not sufficient for describing them at very small submicroscopic (atomic and subatomic) scales. Classical mechanics can be derived from quantum mechanics as an approximation that is valid at ordinary scales.

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Quantum chemistry in the context of Physical chemistry

Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria.

Physical chemistry, in contrast to chemical physics, is predominantly (but not always) a supra-molecular science, as the majority of the principles on which it was founded relate to the bulk rather than the molecular or atomic structure alone (for example, chemical equilibrium and colloids).

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Quantum chemistry in the context of Linus Pauling

Linus Carl Pauling FRS (/ˈpɔːlɪŋ/ PAW-ling; February 28, 1901 – August 19, 1994) was an American chemist and peace activist. He published more than 1,200 papers and books, of which about 850 dealt with scientific topics. New Scientist called him one of the 20 greatest scientists of all time. For his scientific work, Pauling was awarded the Nobel Prize in Chemistry in 1954. For his peace activism, he was awarded the Nobel Peace Prize in 1962. He is one of five people to have won more than one Nobel Prize. Of these, he is the only person to have been awarded two unshared Nobel Prizes, and one of two people to be awarded Nobel Prizes in different fields, the other being Marie Skłodowska-Curie.

Pauling was one of the founders of the fields of quantum chemistry and molecular biology. His contributions to the theory of the chemical bond include the concept of orbital hybridisation and the first accurate scale of electronegativities of the elements. Pauling also worked on the structures of biological molecules, and showed the importance of the alpha helix and beta sheet in protein secondary structure. Pauling's approach combined methods and results from X-ray crystallography, molecular model building, and quantum chemistry. His discoveries inspired the work of Rosalind Franklin, James Watson, Francis Crick, and Maurice Wilkins on the structure of DNA, which in turn made it possible for geneticists to crack the DNA code of all organisms.

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