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A graphical scheme for representing many-electron spin-free configurations

DSpace at IIT Bombay

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Title A graphical scheme for representing many-electron spin-free configurations
 
Creator SARMA, CR
SHANKAR, NR
RETTRUP, S
 
Subject many-electron states
spin-free configuration
configuration interaction (ct)
 
Description The present approach is a graphical technique for representing and generating primitive configurations of space orbitals for electronic systems. The graph is developed as a tree whose paths define the allowed space configurations of electrons admitting at most double occupancy for each orbital. The emphasis in the graph is on the nodes representing occupied orbitals rather than on the arcs compared with previous graphical procedures used in graphical unitary and symmetric group approaches. This leads to a compact representation of the orbital configurations and provides a computationally very efficient indexing scheme. (C) 2002 John Wiley Sons, Inc.
 
Publisher JOHN WILEY & SONS INC
 
Date 2011-08-04T09:35:41Z
2011-12-26T12:54:39Z
2011-12-27T05:42:47Z
2011-08-04T09:35:41Z
2011-12-26T12:54:39Z
2011-12-27T05:42:47Z
2002
 
Type Article
 
Identifier INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 86(5), 417-421
0020-7608
http://dx.doi.org/10.1002/qua.1100.abs
http://dspace.library.iitb.ac.in/xmlui/handle/10054/9316
http://hdl.handle.net/10054/9316
 
Language en