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• W2017688099 abstract "A four-component relativistic self-consistent-field scheme based on the squared Dirac operator is presented. Just as in the one-electron case, discussed previously [Chem. Phys. Lett. 78, 341 (1981)], the variation principle holds and no variational collapse appears if the expansion method is applied. Numerical results with scalar Gaussian-lobe basis sets are given for He, Li, Be, ${mathrm{H}}_{2}$, and LiH." @default.
• W2017688099 created "2016-06-24" @default.
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• W2017688099 date "1984-06-01" @default.
• W2017688099 modified "2023-09-23" @default.
• W2017688099 title "Relativistic self-consistent-field calculations with the squared Dirac operator" @default.
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• W2017688099 doi "https://doi.org/10.1103/physreva.29.2993" @default.
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