Ab initiocoupled-cluster and configuration interaction calculations forO16using theVUCOMinteraction
نویسندگان
چکیده
منابع مشابه
Coupled-cluster and configuration-interaction calculations for heavy nuclei.
We compare coupled-cluster (CC) and configuration-interaction (CI) results for (56)Ni obtained in the pf-shell basis, focusing on practical CC approximations that can be applied to systems with dozens or hundreds of correlated fermions. The weight of the reference state and the strength of correlation effects are controlled by the gap between the f(7/2) orbit and the f(5/2), p(3/2), p(1/2) orbi...
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In this work, theoretical investigations on carbon nanotube with oxygen atom have been carried out by firstprinciplescalculations and density functional theory and hartree fock theory in 3-216 and 6-316 basis sets. Theinteraction energy of the oxygen atom to a CNT is calculated. The effects of this substitutions have beeninvestigated on the during transplantation (10,0) single-walled carbon nan...
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in this work, theoretical investigations on carbon nanotube with oxygen atom have been carried out by firstprinciplescalculations and density functional theory and hartree fock theory in 3-216 and 6-316 basis sets. theinteraction energy of the oxygen atom to a cnt is calculated. the effects of this substitutions have beeninvestigated on the during transplantation (10,0) single-walled carbon nan...
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We present a method for the direct generation of the lists of Ž . strings, suited for integral-driven full-CI FCI algorithms. This method generates the string lists each time they are used, and hence sensibly reduces the memory requirements, compared to our previous method that precalculates the lists. It was also extended to permit a truncation of the string space, according to the level of ex...
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We compare coupled-cluster (CC) and configuration-interaction (CI) results for 55Ni and 57Ni obtained in the pf-shell basis, focusing on the practical equation-of-motion (EOM) CC approximations that can be applied to systems with dozens of correlated fermions. The weight of the reference state and the strength of correlation effects are controlled by the gap between the f7/2 orbit and the f5/2,...
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ژورنال
عنوان ژورنال: Physical Review C
سال: 2009
ISSN: 0556-2813,1089-490X
DOI: 10.1103/physrevc.79.054325