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Standard deviation in reduced errors ( SDRE ): A criterion to assess the relative overall quality of approximate wavefunctions
Author(s) -
Zeiss G. D.,
Whitehead M. A.
Publication year - 1983
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540040205
Subject(s) - standard deviation , wave function , relative standard deviation , mathematics , euclidean distance , similarity (geometry) , euclidean geometry , quality (philosophy) , expression (computer science) , approximation error , standard error , mathematical analysis , statistics , physics , quantum mechanics , computer science , artificial intelligence , geometry , detection limit , image (mathematics) , programming language
The standard deviation in reduced errors (SDRE) quantitatively measures the similarity between an approximate and exact wavefunction. It is the Euclidean distance between the vector of the one‐electron property expectation values calculated using the approximate and exact expectation values.