Electron correlation within the relativistic no-pair approximation
نویسندگان
چکیده
منابع مشابه
Relativistic exchange-correlation energy functional: Gauge dependence of the no-pair correlation energy
We analyze the gauge dependence of the relativistic electron gas correlation energy Ec resulting from the no-pair approximation. In particular, we evaluate the relativistic no-pair Lindhard function as the basic ingredient of the random-phase approximation ~RPA! for Ec . The resulting gauge-dependent no-pair RPA is compared with a gauge-invariant counterpart. The implications for relativistic d...
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Fundamental breakthroughs have recently been achieved in relativistic quantum chemistry based on the no-pair Dirac-Coulomb-Breit Hamiltonian (for a recent review see Ref. [1]). However, there still exist two issues that require great attention, i.e., how to go beyond the nopair approximation so as to account for the correlation contributions of negative energy states and how to do relativistic ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2016
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4959452