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Alternative graphical representation of determinantal many‐electron states
Author(s) -
Rettrup Sten
Publication year - 2006
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.21045
Subject(s) - graph , vertex (graph theory) , representation (politics) , search engine indexing , visualization , computer science , graph theory , theoretical computer science , graphical model , graphical display , space (punctuation) , combinatorics , mathematics , data mining , artificial intelligence , computer graphics (images) , politics , political science , law , operating system
The present approach is a graphical procedure for visualizing and addressing determinants and α and β strings for many‐electron systems. Compared with previous approaches, the emphasis in the graph is on the vertices and vertex weights. The arcs in the graph are only used for visualization. This leads to a compact representation of the configuration space and provides a computationally efficient and dense indexing scheme. The localization of inter configurational matrix elements are determined directly from the graph by means of segments and shapes similar to other graphical approaches. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006