Real space approach to thermal factors in EXAFS for strong anharmonic systems | Zendy

Miyanaga T. | Zendy; Fujikawa T. | Zendy

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Real 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),

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