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v. t. e. In atomic, molecular, and optical physics and quantum chemistry, the molecular Hamiltonian is the Hamiltonian operator representing the energy of the electrons and nuclei in a molecule. This operator and the associated Schrödinger equation play a central role in computational chemistry and physics for computing properties of molecules ...
The benzene molecule consists of 12 nuclei and 42 electrons. The Schrödinger equation, which must be solved to obtain the energy levels and wavefunction of this molecule, is a partial differential eigenvalue equation in the three-dimensional coordinates of the nuclei and electrons, giving 3 × 12 = 36 nuclear + 3 × 42 = 126 electronic = 162 variables for the wave function.
The Hamiltonian of a system represents the total energy of the system; that is, the sum of the kinetic and potential energies of all particles associated with the system. . The Hamiltonian takes different forms and can be simplified in some cases by taking into account the concrete characteristics of the system under analysis, such as single or several particles in the system, interaction ...
The Schrödinger equation for the electron in a hydrogen atom (or a hydrogen-like atom) is = where is the electron charge, is the position of the electron relative to the nucleus, = | | is the magnitude of the relative position, the potential term is due to the Coulomb interaction, wherein is the permittivity of free space and = + is the 2-body ...
Exchange interaction is the main physical effect responsible for ferromagnetism, and has no classical analogue. For bosons, the exchange symmetry makes them bunch together, and the exchange interaction takes the form of an effective attraction that causes identical particles to be found closer together, as in Bose–Einstein condensation.
The liquid drop model is one of the first models of nuclear structure, proposed by Carl Friedrich von Weizsäcker in 1935. [5] It describes the nucleus as a semiclassical fluid made up of neutrons and protons, with an internal repulsive electrostatic force proportional to the number of protons. The quantum mechanical nature of these particles ...
In physics, Hamiltonian mechanics is a reformulation of Lagrangian mechanics that emerged in 1833. Introduced by Sir William Rowan Hamilton, [1] Hamiltonian mechanics replaces (generalized) velocities used in Lagrangian mechanics with (generalized) momenta. Both theories provide interpretations of classical mechanics and describe the same ...
Degenerate energy levels. In quantum mechanics, an energy level is degenerate if it corresponds to two or more different measurable states of a quantum system. Conversely, two or more different states of a quantum mechanical system are said to be degenerate if they give the same value of energy upon measurement.