English

The Calculation of Matrix Elements in Relativistic Quantum Mechanics

Atomic Physics 2016-08-16 v1 Chemical Physics

Abstract

Employing a relativistic version of a hypervirial result, recurrence relations for arbitrary non-diagonal radial hydrogenic matrix elements have recently been obtained in Dirac relativistic quantum mechanics. In this contribution honoring Professor L\"owdin, we report on a new relation we have recently discovered between the matrix elements <2rλ1><2| r^\lambda |1 > and <2βrλ1><2|\beta r^\lambda |1>---where β\beta is a Dirac matrix and the numbers distiguish between different radial eigenstates--- that allow for a simplification and hence for a more convenient way of expressing the recurrence relations. We additionally derive another relation that can be employed for simplifying two center matrix element calculations in relativistic atomic or molecular calculations.

Keywords

Cite

@article{arxiv.physics/0109015,
  title  = {The Calculation of Matrix Elements in Relativistic Quantum Mechanics},
  author = {A. C. Ilarraza-Lomelí and M. N. Valdés-Martínez and A. L. Salas-Brito and R. P. Martínez-y-Romero and H. N. Núñez-Yépez},
  journal= {arXiv preprint arXiv:physics/0109015},
  year   = {2016}
}

Comments

12 pages, no figures. Submitted to the Int. J. Quantum Chem. P.O. L\"owdin memorial issue

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