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quantum mechanical vibrational kinetic energy operator

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  • Zero-point energy — is the lowest possible energy that a quantum mechanical physical system may have; it is the energy of its ground state. All quantum mechanical systems undergo fluctuations even in their ground state and have an associated zero point energy, a… …   Wikipedia

  • Rigid rotor — The rigid rotor is a mechanical model that is used to explain rotating systems. An arbitrary rigid rotor is a 3 dimensional rigid object, such as a top. To orient such an object in space three angles are required. A special rigid rotor is the… …   Wikipedia

  • Molecular Hamiltonian — In atomic, molecular, and optical physics as well as in quantum chemistry, molecular Hamiltonian is the name given to the Hamiltonian representing the energy of the electrons and nuclei in a molecule. This Hermitian operator and the associated… …   Wikipedia

  • Born-Oppenheimer approximation — In quantum chemistry, the computation of the energy and wavefunction of an average size molecule is a formidable task that is alleviated by the Born Oppenheimer (BO) approximation. For instance the benzene molecule consists of 12 nuclei and 42… …   Wikipedia

  • GF method — Wilson s GF method, sometimes referred to as FG method, is a classical mechanical method to obtain certain internal coordinates fora vibrating semi rigid molecule, the so called normal coordinates Q k. Normal coordinates decouple the classical… …   Wikipedia

  • Wave–particle duality — Quantum mechanics Uncertainty principle …   Wikipedia

  • analysis — /euh nal euh sis/, n., pl. analyses / seez /. 1. the separating of any material or abstract entity into its constituent elements (opposed to synthesis). 2. this process as a method of studying the nature of something or of determining its… …   Universalium

  • Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

  • Planck constant — Planck s relation redirects here. For the law governing black body radiation, see Planck s law. Values of h Units 6.62606957(29)×10−34 J·s[1] 4.135 …   Wikipedia

  • Atomic orbital — The shapes of the first five atomic orbitals: 1s, 2s, 2px, 2py, and 2pz. The colors show the wave function phase. These are graphs of ψ(x,y,z) functions which depend on the coordinates of one electron. To see the elongated shape of ψ(x,y,z)2… …   Wikipedia

  • String theory — This article is about the branch of theoretical physics. For other uses, see String theory (disambiguation). String theory …   Wikipedia

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