Abstract
Two routes for deriving the exact two-component Hamiltonians are compared. In the first case, as already known, we start directly from the matrix representation of the Dirac operator in a restricted kinetically balanced basis and make a single block diagonalization. In the second case, not considered before, we start instead from the Foldy-Wouthuysen operator and make proper use of resolutions of the identity. The expressions are surprisingly different. It turns out that a mistake was made in the former formulation when going from the Dirac to the Schrödinger picture. The two formulations become equivalent after the mistake is corrected. © 2009 American Institute of Physics.
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CITATION STYLE
Liu, W., & Peng, D. (2009). Exact two-component Hamiltonians revisited. Journal of Chemical Physics, 131(3). https://doi.org/10.1063/1.3159445
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