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Alternative inner projections of the superoperator resolvent
Author(s) -
Born Gregory,
Öhrn Yngve
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560140812
Subject(s) - resolvent , formalism (music) , propagator , decoupling (probability) , chemistry , quantum mechanics , theoretical physics , physics , computational chemistry , statistical physics , mathematics , mathematical analysis , engineering , art , musical , control engineering , visual arts
A diagram‐conserving decoupling of the electron propagator is derived using the superoperator formalism. The self‐energy contribution is derived through third order using a HF reference state and is shown to avoid the large matrix dimensions inherent in previously used decouplings. Applications to the water molecule are reported.