|
Yambo〔(Yambo: an ab-initio tool for excited state calculations ) Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano Comp. Phys. Comm. 180, 1392 (2009).〕 is an open source many-body theory software package for studying solids and molecular systems. It calculates the excited state properties of physical systems from first principles (e.g. from quantum mechanics law without the use of empirical data). Parts of it are licensed under the GNU GPL.〔http://www.yambo-code.org/theory/features.php〕 ==Excited state properties== With Yambo one can calculate: *Quasiparticle energies (plasmon pole,〔Wilfried G. Aulbura, Lars Jönssona and John W. Wilkins Solid State Physics, 54, 1 (1999)〕 COHSEX approximation〔 or real-axis ) *Lifetimes〔A. Marini, R. Del Sole, A. Rubio e G. Onida, Phys. Rev. B 66, 161104(R) (2002).〕 within the GW approximation *Optical absorption (RPA, Bethe Salpeter with or without Tamm-Dancoff Approximation,〔M. Grüning, A. Marini and X. Gonze Nano Letters, 9, 2820 (2009)〕 TDDFT in TD-LDA or LRC〔S. Botti, et al. Phys. Rev. B 69, 155112 (2004).〕〔S. Botti, et al. Phys. Rev. B 72, 125203 (2005)〕) *Electron energy loss spectroscopy *Dynamical polarizability 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「YAMBO code」の詳細全文を読む スポンサード リンク
|