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Third-order Douglas–Kroll self-consistent field energies for the neutral atoms H to Uuo
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10.1063/1.3075832
/content/aip/journal/jcp/130/7/10.1063/1.3075832
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/7/10.1063/1.3075832
View: Tables

Tables

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Table I.

SQR-SCF energies of the rare gases and Lr using GTF and -spline (in hartree).

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Table II.

Deviations of SQR-SCF energies for Kr given by several -spline sets from the SQR-SCF limit energy given by GTF (in ).

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Table III.

Deviations of DK3-SCF energies for Kr given by several -spline sets from the result given by the 100-term -spline set with and (in ).

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Table IV.

DK3-SCF energies for atoms H to Uuo (in hartree) and their deviations from the results of Nakajima and Hirao (in mhartree).

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/content/aip/journal/jcp/130/7/10.1063/1.3075832
2009-02-19
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Third-order Douglas–Kroll self-consistent field energies for the neutral atoms H to Uuo
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/7/10.1063/1.3075832
10.1063/1.3075832
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