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

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

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

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

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...

The Born–Huang approximation is an approximation closely related to the Born–Oppenheimer approximation. It takes into account diagonal nonadiabatic effects...

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

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...

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

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

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...

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

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

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

Functional Theory. Simulations can be performed either within the Born–Oppenheimer approximation or using Car-Parrinello molecular dynamics. The electronic ground...

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

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

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

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

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

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

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

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

football (soccer) club Boa Island, in Northern Ireland Born-Oppenheimer Approximation, an approximation used in quantum chemistry and molecular physics Boa...

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

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

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...

electron, and the typical mass of a nucleus and leads to the Born–Oppenheimer approximation and the idea that the structure and dynamics of a chemical species...