Resolutions of the Coulomb operator | Zendy

Sergey A. Varganov | Zendy; Andrew T. B. Gilbert | Zendy; Evelyne Deplazes | Zendy; Peter M. W. Gill | Zendy

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Resolutions of the Coulomb operator

Author(s) -

Sergey A. Varganov,

Andrew T. B. Gilbert,

Evelyne Deplazes,

Peter M. W. Gill

Publication year - 2008

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 - 10.1063/1.2939239

Subject(s) - coulomb , operator (biology) , generalization , resolution (logic) , orthonormal basis , identity (music) , set (abstract data type) , physics , ladder operator , point (geometry) , mathematics , pure mathematics , mathematical physics , mathematical analysis , quantum mechanics , computer science , artificial intelligence , geometry , extension (predicate logic) , compact operator , chemistry , transcription factor , acoustics , gene , programming language , electron , biochemistry , repressor

We discuss a generalization of the resolution of the identity by considering one-body resolutions of two-body operators, with particular emphasis on the Coulomb operator. We introduce a set of functions that are orthonormal with respect to 1r(12) and propose that the resulting "resolution of the Coulomb operator," r(12) (-1)=mid R:phi(i)phi(i)mid R:, may be useful for the treatment of large systems due to the separation of two-body interactions. We validate our approach by using it to compute the Coulomb energy of large systems of point charges.

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