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One particle: N particles: One dimension ^ = ^ + = + ^ = = ^ + (,,) = = + (,,) where the position of particle n is x n. = + = = +. (,) = /.There is a further restriction — the solution must not grow at infinity, so that it has either a finite L 2-norm (if it is a bound state) or a slowly diverging norm (if it is part of a continuum): [1] ‖ ‖ = | |.
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]
Perturbation theory (quantum mechanics) In quantum mechanics, perturbation theory is a set of approximation schemes directly related to mathematical perturbation for describing a complicated quantum system in terms of a simpler one. The idea is to start with a simple system for which a mathematical solution is known, and add an additional ...
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 ...
Quantum superposition is a fundamental principle of quantum mechanics that states that linear combinations of solutions to the Schrödinger equation are also solutions of the Schrödinger equation. This follows from the fact that the Schrödinger equation is a linear differential equation in time and position. More precisely, the state of a ...
In quantum chemistry and molecular physics, the Born–Oppenheimer (BO) approximation is the best-known mathematical approximation in molecular dynamics. Specifically, it is the assumption that the wave functions of atomic nuclei and electrons in a molecule can be treated separately, based on the fact that the nuclei are much heavier than the electrons.