期刊
JOURNAL OF CHEMICAL PHYSICS
卷 131, 期 3, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3159445
关键词
Dirac equation; mathematical operators; matrix algebra; relativistic quantum mechanics; Schrodinger equation
资金
- National Natural Science Foundation of China [20625311, 20773003]
- MOST of China [2006CB601103]
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 Schroumldinger picture. The two formulations become equivalent after the mistake is corrected.
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