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Stability of the Restricted Hartree-Fock-Roothaan Method

✍ Scribed by Huzinaga, Sigeru; Hart-Davis, Adrienne

Book ID
120563381
Publisher
The American Physical Society
Year
1973
Tongue
English
Weight
456 KB
Volume
8
Category
Article
ISSN
1050-2947

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On the behaviour of exchange in restrict
On the behaviour of exchange in restricted hartree-fock-roothaan calculations for periodic polymers
✍ Lucjan Piela; Jean-Marie AndrΓ©; Joseph G. Fripiat; Joseph Delhalle πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 806 KB

Analysis of the restrIcted Hartree-Fock (RHF) ewhange potentml IS presented. In po1ymer.c chams, a reIatmn between the short-rangeness of the exchange and the ener\_w gap IS observed. In metalhc systems, the exchange IS of long-range and correlation corrections are expected to be unportant The vahdl