What makes matrix mechanics matrix mechanics?

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SUMMARY

This discussion centers on the distinctions between matrix mechanics and Schrödinger wave mechanics in quantum chemistry. Participants clarify that while both approaches are mathematically equivalent, the Heisenberg picture focuses on matrix representations of operators, whereas the Schrödinger picture relies on differential equations. The conversation highlights that quantum chemists often use matrix mechanics for practical calculations, such as diagonalizing the Fock matrix to obtain molecular orbitals. Ultimately, the choice of method depends on the specific problem and the desired perspective on time evolution and state representation.

PREREQUISITES
  • Understanding of Heisenberg's matrix mechanics
  • Familiarity with Schrödinger's wave mechanics
  • Knowledge of quantum chemistry concepts, particularly the Fock operator
  • Basic principles of linear algebra, including matrix diagonalization
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  • Study the mathematical foundations of Heisenberg's matrix mechanics
  • Explore the Schrödinger equation and its applications in quantum chemistry
  • Learn about the Fock operator and its role in quantum mechanical calculations
  • Investigate the equivalence of matrix mechanics and wave mechanics through practical examples
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Quantum chemists, physicists, and students of quantum mechanics seeking to deepen their understanding of the relationship between matrix mechanics and wave mechanics in computational applications.

  • #31
ok there's one detail that I have ignored that may have been what you were looking for. wave mechanics failed to comply with the relativistic energy. at the time dirac solved this by introducing matrices that solved the wave equation if inserted, instead of just the single wave function. for details I recommend:http://en.wikipedia.org/wiki/Dirac_equation
the idea is that in the new tonsorial equation, the wave function must be a tensor itself, thereby introducing matrix mechanics to wave physics.
 
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  • #32
ardie said:
ok there's one detail that I have ignored that may have been what you were looking for. wave mechanics failed to comply with the relativistic energy. at the time dirac solved this by introducing matrices that solved the wave equation if inserted, instead of just the single wave function. for details I recommend:http://en.wikipedia.org/wiki/Dirac_equation
the idea is that in the new tonsorial equation, the wave function must be a tensor itself, thereby introducing matrix mechanics to wave physics.
No, this is not my question. My question is in starting from first principals looking to calculate the total energy of an atom or molecule, how would I accomplish this using "matrix mechanics" and how would I accomplish this using "wave mechanics". I know I must get the same answer regardless but they are distinct techniques. I know how I DO do this in calculations, but I don't know to which method what I do belongs or if it's some mixture of both.
 

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