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General factorization relations and consistency conditions in the sudden approximation via infinite matrix inversion
Author(s) -
ChiKeung Chan,
David K. Hoffman,
James W. Evans
Publication year - 1985
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 - 10.1063/1.449401
Subject(s) - factorization , mathematics , matrix decomposition , matrix (chemical analysis) , inversion (geology) , multiplicative function , regularization (linguistics) , pure mathematics , algebra over a field , mathematical analysis , algorithm , computer science , quantum mechanics , physics , paleontology , eigenvalues and eigenvectors , materials science , structural basin , artificial intelligence , composite material , biology
Local, i.e., multiplicative, operators satisfy well‐known linear factorization relations wherein matrix elements (between states associated with a complete set of wave functions) can be obtained as a linear combination of those out of the ground state (the input data). Analytic derivation of factorization relations for general state input data results in singular integral expressions for the coefficients, which can, however, be regularized using consistency conditions between matrix elements out of a single (nonground) state. Similar results hold for suitable ‘‘symmetry class’’ averaged matrix elements where the symmetry class projection operators are ‘‘complete.’’ In several cases where the wave functions or projection operators incorporate orthogonal polynomial dependence, we show that the ground state factorization relations have a simplified structure allowing an alternative derivation of the general factorization relations via an infinite matrix inversion procedure. This form is shown to have some ad...

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