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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 ...
Nilsson model. The Nilsson model is a nuclear shell model treating the atomic nucleus as a deformed sphere. In 1953, the first experimental examples were found of rotational bands in nuclei, with their energy levels following the same J (J+1) pattern of energies as in rotating molecules. Quantum mechanically, it is impossible to have a ...
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 ...
Energy is released when a heavy nucleus breaks apart into two or more lighter nuclei. This energy is the internucleon potential energy that is released when the nuclear force no longer holds the charged nuclear fragments together. [3] [4] A quantitative description of the nuclear force relies on equations that are partly empirical. These ...
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.
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 ...
The nuclear mass defect is usually converted into nuclear binding energy, which is the minimum energy required to disassemble the nucleus into its constituent nucleons. This conversion is done with the mass-energy equivalence: E = ∆mc2. However it must be expressed as energy per mole of atoms or as energy per nucleon.
The RKKY interaction is a long-range interaction between magnetic moments in a metal. The energy oscillates with distance, decaying as . The oscillations are caused by the interaction of the magnetic moments with the conduction electrons in the metal. A schematic diagram of 4 electrons scattered by 4 magnetic atoms far apart.