On the formulation of spin‐free quantum chemistry | Zendy

Heldmann G. | Zendy

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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.

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