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On the formulation of spin‐free quantum chemistry
Author(s) -
Heldmann G.
Publication year - 1968
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.560020605
Subject(s) - antisymmetric relation , projector , spin (aerodynamics) , quantum chemistry , chemistry , quantum mechanics , space (punctuation) , basis (linear algebra) , quantum , operator (biology) , physics , basis set , theoretical physics , mathematical physics , molecule , mathematics , thermodynamics , computer science , optics , supramolecular chemistry , geometry , operating system , biochemistry , repressor , transcription factor , gene
A set of spin‐free functions ϕ i ( r ), i = 1 … f , is obtained which form the basis of spin‐free quantum chemistry. The ϕ i ( r ) show a one‐to‐one correspondence to antisymmetric space‐spin functions Ψ i ( r , σ) with spin functions constructed according to Löwdin's projector operator method.