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Quantum mechanics is a fundamental theory that describes the behavior of nature at and below the scale of atoms. [2]: 1.1 It is the foundation of all quantum physics, which includes quantum chemistry, quantum field theory, quantum technology, and quantum information science. Quantum mechanics can describe many systems that classical physics cannot.
The idea of quantum field theory began in the late 1920s with British physicist Paul Dirac, when he attempted to quantize the energy of the electromagnetic field; just as in quantum mechanics the energy of an electron in the hydrogen atom was quantized. Quantization is a procedure for constructing a quantum theory starting from a classical theory.
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. [1]
The application of quantum mechanics to chemistry is known as quantum chemistry. Quantum mechanics can also provide quantitative insight into ionic and covalent bonding processes by explicitly showing which molecules are energetically favorable to which others and the magnitudes of the energies involved. [1]
The Principles of Quantum Mechanics is an influential monograph on quantum mechanics written by Paul Dirac and first published by Oxford University Press in 1930. [1] Dirac gives an account of quantum mechanics by "demonstrating how to construct a completely new theoretical framework from scratch"; "problems were tackled top-down, by working on the great principles, with the details left to ...
In physics, complementarity is a conceptual aspect of quantum mechanics that Niels Bohr regarded as an essential feature of the theory. [1] [2] The complementarity principle holds that certain pairs of complementary properties cannot all be observed or measured simultaneously.
The end of the first era of quantum mechanics was triggered by de Broglie's publication of his hypothesis of matter waves, [1]: 268 leading to Schrödinger's discovery of wave mechanics for matter. Accurate predictions of the absorption spectrum of hydrogen ensured wide acceptance of the new quantum theory. [1]: 275
Ab initio quantum chemistry methods are a class of computational chemistry techniques based on quantum chemistry that aim to solve the electronic Schrödinger equation. [1] Ab initio means "from first principles" or "from the beginning", meaning using only physical constants [2] and the positions and number of electrons in the system as input.