Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference58 articles.
1. High-Resolution Spectroscopic Studies and Theory of Parity Violation in Chiral Molecules
2. The generic acronym “X2C” (pronounced as “ecstasy”) for exact two-component Hamiltonians resulted from intensive discussions among H. J. A.Jensen, W.Kutzelnigg, W.Liu, T.Saue and L.Visscher during the Twelfth International Conference on the Applications of Density Functional Theory (DFT-2007), Amsterdam, 26–30 August, 2007. Note that the “exact” here means only that all the solutions of the Dirac-based Hamiltonian can be reproduced up to machine accuracy. It is particularly meaningful when compared with finite order quasirelativistic theories
3. Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory
4. Erratum: “Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory” [J. Chem. Phys. 125, 044102 (2006)]
5. Making four- and two-component relativistic density functional methods fully equivalent based on the idea of “from atoms to molecule”
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