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The Direct Calculation of the First-Order Density Matrix for Atoms

โœ Scribed by Hall, G. G.; Jones, L. L.; Rees, D.


Book ID
120144387
Publisher
The Royal Society
Year
1965
Tongue
English
Weight
414 KB
Volume
283
Category
Article
ISSN
0962-8444

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๐Ÿ“œ SIMILAR VOLUMES


Reduced first order density matrix for t
โœ Carlos F. Bunge ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 505 KB

## Abstract A reduced first order density matrix for the Be ground state is computed from an extensive configuration interaction (CI) wave function. A sequence of increasingly accurate CI wave functions ฮฆ__~q~__ converging towards the exact ฮจ is used to assess the quality of the results which inclu