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Markovian approach of the electron localization functions
Author(s) -
Putz Mihai V.
Publication year - 2005
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.20645
Subject(s) - pauli exclusion principle , path integral formulation , markov process , path (computing) , statistical physics , quantum , electron , physics , work (physics) , quantum mechanics , theoretical physics , topology (electrical circuits) , mathematics , computer science , combinatorics , statistics , programming language
By combining the path integral description of Markovian processes in terms of conditional probabilities with the catastrophe topological concepts alternative electron localization classes of functions (ELFs) are formulated, consistent with the Heisenberg and Pauli principles, complementing and augmenting the previous work of Becke and Edgecombe. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005