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Minimum cross‐entropy estimation of internally folded densities from Compton profiles
Author(s) -
Antolín J.,
Cuchí J. C.,
Angulo J. C.
Publication year - 2002
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.10012
Subject(s) - reciprocal , physics , atomic physics , entropy (arrow of time) , electron , statistical physics , computational physics , quantum mechanics , philosophy , linguistics
The internally folded density or reciprocal form factor B ( r ) of many‐electron systems is tightly estimated from the knowledge of a small discrete set of values of the Compton profile J ( q ). In doing so, the minimum cross‐entropy technique is employed. A numerical analysis of the approximations is carried out for the Helium atom. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2002