Química Nova (Jan 2009)

Modelos da Química Quântica no espaço de momento: diferentes representações de um mesmo sistema Quantum Chemistry Models in the momentum space: different representations of the same system

  • Willian Hermoso,
  • Fernando R. Ornellas

DOI
https://doi.org/10.1590/s0100-40422009000900045
Journal volume & issue
Vol. 32, no. 9
pp. 2487 – 2491

Abstract

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The conventional approach to simple quantum chemistry models is contrasted with that known as momentum representation, where the wavefunctions are momentum dependent. Since the physical interactions are the same, state energies should not change, and whence the energy differences correlating with the real world as spectral lines or bands. We emphasize that one representation is not more fundamental than the other, and the choice is a matter of mathematical convenience. As spatial localization is rooted in our brains, to think in terms of the momentum present us a great mental challenge that can lead to complementary perspectives of a model.

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