Open AccessSpin contamination in MP2 and CC2, a surprising issue
Author(s) -
MariosPetros Kitsaras,
Stella Stopkowicz
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0044362
Subject(s) - coupled cluster , open shell , cluster (spacecraft) , spin (aerodynamics) , electronic correlation , statistical physics , chemistry , shell (structure) , contamination , quantum mechanics , theoretical physics , physics , molecule , computer science , thermodynamics , materials science , composite material , programming language , ecology , biology
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