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Propagator version of the direct siegert method
Author(s) -
Winkler Peter
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.560220855
Subject(s) - arbitrariness , propagator , operator (biology) , set (abstract data type) , basis (linear algebra) , basis set , energy (signal processing) , resonance (particle physics) , function (biology) , statistical physics , physics , mathematics , quantum mechanics , computer science , epistemology , chemistry , philosophy , biochemistry , geometry , repressor , evolutionary biology , molecule , biology , transcription factor , gene , programming language
Exploratory studies of the calculation of atomic resonance states ( 2 S of He) are reported emphasizing the discussion of several approximations such as the use of a V N‐1 potential, basis set limitations, the arbitrariness of the required cut‐off function, and approximations for the self‐energy operator in an attempt to assess the usefulness of the proposed approach.