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- W2003289073 abstract "Two approaches are proposed to include relativistic effects in variational molecular calculations. The first part of the present paper describes an attempt to avoid a problem which is inevitable when using the Breit-Pauli Hamiltonian in variational calculations for atoms and molecules, by carefully choosing basis functions in the finite expansion method at the all-electron level. In the second part the nature of the Cowan-Griffin approximation is discussed and a strategy for using the approximation in ab initio valence-electron-only molecular calculations is presented." @default.
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- W2003289073 date "1988-06-01" @default.
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- W2003289073 title "Inclusion of relativistic effects in variational molecular calculations" @default.
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- W2003289073 doi "https://doi.org/10.1016/0009-2614(88)80275-6" @default.
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