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  2. Schrödinger equation - Wikipedia

    en.wikipedia.org/wiki/Schrödinger_equation

    The Klein–Gordon equation, + =, was the first such equation to be obtained, even before the nonrelativistic one-particle Schrödinger equation, and applies to massive spinless particles. Historically, Dirac obtained the Dirac equation by seeking a differential equation that would be first-order in both time and space, a desirable property for ...

  3. Quantum tunnelling - Wikipedia

    en.wikipedia.org/wiki/Quantum_tunnelling

    A simulation of a wave packet incident on a potential barrier. ... To solve this equation using the semiclassical ... Interactive Solution of Schrodinger Tunnel ...

  4. Ab initio quantum chemistry methods - Wikipedia

    en.wikipedia.org/wiki/Ab_initio_quantum...

    Ab initio quantum chemistry methods are a class of computational chemistry techniques based on quantum chemistry that aim to solve the electronic Schrödinger equation. [1] Ab initio means "from first principles" or "from the beginning", meaning using only physical constants [2] and the positions and number of electrons in the system as input.

  5. Schrödinger field - Wikipedia

    en.wikipedia.org/wiki/Schrödinger_field

    In quantum mechanics and quantum field theory, a Schrödinger field, named after Erwin Schrödinger, is a quantum field which obeys the Schrödinger equation. [1] While any situation described by a Schrödinger field can also be described by a many-body Schrödinger equation for identical particles, the field theory is more suitable for situations where the particle number changes.

  6. Step potential - Wikipedia

    en.wikipedia.org/wiki/Step_potential

    In quantum mechanics and scattering theory, the one-dimensional step potential is an idealized system used to model incident, reflected and transmitted matter waves.The problem consists of solving the time-independent Schrödinger equation for a particle with a step-like potential in one dimension.

  7. Rectangular potential barrier - Wikipedia

    en.wikipedia.org/wiki/Rectangular_potential_barrier

    The Schrödinger equation may then be reduced to the case considered here by an ansatz for the wave function of the type: (,,) = (,). For another, related model of a barrier, see Delta potential barrier (QM) , which can be regarded as a special case of the finite potential barrier.

  8. 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.

  9. 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.