Correction to iCI: Iterative CI toward Full CI
نویسندگان
چکیده
منابع مشابه
Full-CI benchmark for the N2 molecule
Full Connguration Interaction (FCI) calculations have been performed for the nitrogen dimer using a vdzp basis set. The FCI space contains about 10 10 symmetry-adapted Slater determinants. The FCI results are compared with several approximated methods. 3 1. Introduction.
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2016
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.6b00512