VIBRATIONAL MODES IN SMALL Agn, Aun CLUSTERS: A FIRST PRINCIPLE CALCULATION
نویسندگان
چکیده
منابع مشابه
Calculation of Low-Frequency Vibrational Modes of Biologically Important Isomers
In this paper we compare the value of different molecular modeling techniques for the prediction of vibrational modes, especially in the midand far-infrared region. There is a wide range of different levels of theory available for molecular modelling—the choice depending on the kind of system to be investigated. For our calculations we use different theoretical approaches such as Hartree-Fock a...
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Rights: © 1993 American Physical Society (APS). This is the accepted version of the following article: Seitsonen, A. P. & Puska, M. J. & Alatalo, M. & Nieminen, Risto M. & Milman, V. & Payne, M. C. 1993. Crystals from metallic clusters: A first-principles calculation. Physical Review B. Volume 48, Issue 3. 1981-1983. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.48.1981, which has been pub...
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ژورنال
عنوان ژورنال: International Journal of Modern Physics B
سال: 2009
ISSN: 0217-9792,1793-6578
DOI: 10.1142/s0217979209053436