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Record Nr. |
UNISA996466812703316 |
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Autore |
Fieck G |
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Titolo |
Symmetry of Polycentric Systems [[electronic resource] ] : The Polycentric Tensor Algebra for Molecules / / by G. Fieck |
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Pubbl/distr/stampa |
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Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1982 |
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ISBN |
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Edizione |
[1st ed. 1982.] |
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Descrizione fisica |
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1 online resource (VI, 140 p. 2 illus.) |
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Collana |
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Lecture Notes in Physics, , 0075-8450 ; ; 167 |
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Disciplina |
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Soggetti |
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Physical chemistry |
Physical Chemistry |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Bibliographic Level Mode of Issuance: Monograph |
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Nota di contenuto |
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Summary of the Wigner-Racah algebra of non-simply-reducible point groups with non-ambivalent classes -- Representations induced by polyhedral edges -- Bicentric matrices -- The matrix elements of s.-a. molecular orbitals -- Polyhedral coefficients referring to edges -- Triangular coefficients -- Triangular invariants -- Symmetry-adapted geminals and densities -- Pseudo-tetrahedral coefficients -- Two-particle interaction -- Complete bases of irreducible representations -- Transformation properties and structure of the multi-centre integrals -- Multi-centre integrals and molecular symmetry -- Ab initio determination of the polycentric invariants -- Wolfsberg-Helmholtz and Mulliken approximations -- Floating orbitals -- Overlap- and structural matrices, orthonormalization -- Many-electron systems -- Sketch of the VB picture -- Prospect of crystals -- Case study: Tetrahedral structures -- Case study: Matrix elements. |
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