Open AccessReal space approach to thermal factors in EXAFS for strong anharmonic systems
Author(s) -
Miyanaga T.,
Fujikawa T.
Publication year - 1999
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049599002186
Subject(s) - anharmonicity , extended x ray absorption fine structure , space (punctuation) , thermal , physics , statistical physics , chemical physics , computer science , optics , quantum mechanics , thermodynamics , absorption spectroscopy , operating system
V ~ Vo(q,'~) = w(~) +/,t o2(~')2(q -c~) 2/2 (2.3) Now the parameters w(~') and (a(q) are to be optimized so that the trial reduced density well approximates the true reduced density. Final expression for the average of a local operator A can be represented in terms of the probability density P(q) just like a classical statistical mechanics (from nov,, on q is used instead of q for brevity),