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  2. Molecular Hamiltonian - Wikipedia

    en.wikipedia.org/wiki/Molecular_Hamiltonian

    The corresponding Schrödinger equation is easily solved, it factorizes into 3N − 6 equations for one-dimensional harmonic oscillators. The main effort in this approximate solution of the nuclear motion Schrödinger equation is the computation of the Hessian F of V and its diagonalization.

  3. Schrödinger equation - Wikipedia

    en.wikipedia.org/wiki/Schrödinger_equation

    The equation was postulated by Schrödinger based on a postulate of Louis de Broglie that all matter has an associated matter wave. The equation predicted bound states of the atom in agreement with experimental observations. [4]: II:268 The Schrödinger equation is not the only way to study quantum mechanical systems and make predictions.

  4. Coulomb wave function - Wikipedia

    en.wikipedia.org/wiki/Coulomb_wave_function

    The Coulomb wave equation for a single charged particle of mass is the Schrödinger equation with Coulomb potential [1] (+) = (),where = is the product of the charges of the particle and of the field source (in units of the elementary charge, = for the hydrogen atom), is the fine-structure constant, and / is the energy of the particle.

  5. and this is the Schrödinger equation. Note that the normalization of the path integral needs to be fixed in exactly the same way as in the free particle case. An arbitrary continuous potential does not affect the normalization, although singular potentials require careful treatment.

  6. Matter wave - Wikipedia

    en.wikipedia.org/wiki/Matter_wave

    By contrast, strongly interacting particles like slow electrons and molecules require vacuum: the matter wave properties rapidly fade when they are exposed to even low pressures of gas. [67] With special apparatus, high velocity electrons can be used to study liquids and gases. Neutrons, an important exception, interact primarily by collisions ...

  7. Unitary transformation (quantum mechanics) - Wikipedia

    en.wikipedia.org/wiki/Unitary_transformation...

    In quantum mechanics, the Schrödinger equation describes how a system changes with time. It does this by relating changes in the state of the system to the energy in the system (given by an operator called the Hamiltonian). Therefore, once the Hamiltonian is known, the time dynamics are in principle known.

  8. Particle in a box - Wikipedia

    en.wikipedia.org/wiki/Particle_in_a_box

    Some trajectories of a particle in a box according to Newton's laws of classical mechanics (A), and according to the Schrödinger equation of quantum mechanics (B–F). In (B–F), the horizontal axis is position, and the vertical axis is the real part (blue) and imaginary part (red) of the wave function.

  9. Energy operator - Wikipedia

    en.wikipedia.org/wiki/Energy_operator

    Re-arranging the equation leads to =, where the energy factor E is a scalar value, the energy the particle has and the value that is measured. The partial derivative is a linear operator so this expression is the operator for energy: E ^ = i ℏ ∂ ∂ t . {\displaystyle {\hat {E}}=i\hbar {\frac {\partial }{\partial t}}.}