In quantum chemistry and molecular physics, the Born–Oppenheimer (BO) approximation is the assumption that the wave functions of atomic nuclei and electrons...

result of a series of approximations, principally the electrical dipole transition assumption and the Born–Oppenheimer approximation. Weaker magnetic dipole...

adiabatically parameterized by the nuclear positions (i.e., the Born–Oppenheimer approximation). A wide variety of approaches are used, including semi-empirical...

The Born–Huang approximation (named after Max Born and Huang Kun) is an approximation closely related to the Born–Oppenheimer approximation. It takes...

equation for a multi-electron atom or molecule as described in the Born–Oppenheimer approximation. Since there are no known analytic solutions for many-electron...

theoretical chemistry, the vibronic coupling is neglected within the Born–Oppenheimer approximation. Vibronic couplings are crucial to the understanding of nonadiabatic...

relating the energy of a molecule(s) to its structure (within the Born–Oppenheimer approximation). Qualitatively, the reaction coordinate diagrams (one-dimensional...

terms of some analytic functions. In the second step of the Born–Oppenheimer approximation the part of the full Coulomb Hamiltonian that depends on the...

of the treated molecules or clusters are seen as fixed (the Born–Oppenheimer approximation), generating a static external potential V, in which the electrons...

pumping Adiabatic quantum motor Born–Oppenheimer approximation Eigenstate thermalization hypothesis Adiabatic process Born, M. and Fock, V. A. (1928). "Beweis...

energies of the whole molecule, electronic plus nuclear. The Born-Oppenheimer approximation is unsuited for describing the dihydrogen cation accurately...

approximation for molecular wave functions; work on the theory of positrons, quantum electrodynamics, and quantum field theory; and the Oppenheimer–Phillips...

the Born-Oppenheimer approximation, where the lighter electrons adjust instantaneously to the motion of the nuclei. Though the Born-Oppenheimer approximation...

solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system. Mathematically...

rotational kinetic energy operator causing a breakdown of the Born–Oppenheimer approximation. This is to be contrasted with the Jahn–Teller effect which...

for infinite orthogonal group In chemistry and physics, the Born–Oppenheimer approximation Bolivia (ISO 3166-1 country code) .bo, Internet country code...

to a classical potential entails two main approximations. The first one is the Born–Oppenheimer approximation, which states that the dynamics of electrons...

This is particularly important in quantum chemistry. In the Born–Oppenheimer approximation, the electronic molecular Hamiltonian is diagonalized on a set...

basis set, within the Born–Oppenheimer approximation (although schemes have also been drawn up to work without the BO approximation). One possible improvement...

theoretical analysis of a molecule is simplified by use of Born–Oppenheimer approximation. Typically, rotational energies of molecules are smaller than...

states of a vibrationally excited molecule. Physics portal Born–Oppenheimer approximation Electrostatic deflection (molecular physics/nanotechnology)...

are always in equilibrium when atoms move (the Born–Oppenheimer approximation). With this approximation, each asperity contact during sliding is equivalent...

mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is...

height, resulting from pressure change. Adiabatic invariant Born–Oppenheimer approximation Adiabatic process Adiabatic ionization Adiabatic index Adiabatic...

electronic and vibrational (and rotational) energies; that is, the Born–Oppenheimer approximation applies. The overall molecular energy depends not only on the...

(rovibrational) Hamiltonian that arises in the second step of the Born–Oppenheimer approximation. They make it possible to approximately separate rotation from...

causes a rigid shift of the Fermi sphere and a failure of the Born-Oppenheimer approximation since the electrons do not follow any more the ionic motion...

non-vanishing. In the vicinity of conical intersections, the Born–Oppenheimer approximation breaks down and the coupling between electronic and nuclear...

configurations of the elements were experimentally determined. Born–Oppenheimer approximation d electron count Electron configurations of the elements (data...

solution of the non-relativistic Schrödinger equation within the Born–Oppenheimer approximation. Therefore, the Hartree–Fock limit is always above this exact...