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CNKI学位论文(19)

知网期刊论文(2)

在“Elsevier电子期刊”中，命中：7条，耗时：小于0.01 秒

在所有数据库中总计命中：21条

1.Efficient on-the-fly interpolation technique for Bethe-Salpeter calculations of optical spectra

作者：Yannick Gillet ; ^{yannick.gillet@uclouvain.be" class="auth_mail" title="E-mail the corresponding author} ; Matteo Giantomassi ; Xavier Gonze

关键词：Bethe&ndash ; Salpeter Equation ; Lanczos algorithm

刊名：Computer Physics Communications

出版年：2016

2.Accurate quantum-mechanical evaluation of the electric polarization of periodic solids using a multi-step method

作者：St¨¦phane Le roux ; Xavier Gonze

关键词：Polarization ; Berry phase ; Density-functional theory ; ABINIT

刊名：Computational Materials Science

出版年：2012

3.Implementation of techniques for computing optical properties in 0–3 dimensions, including a real-space cutoff, in ABINIT

作者：Carlo Motta ; Matteo Giantomassi ; Marco Cazzaniga ; Katalin Gaá ; l-Nagy ; Xavier Gonze

关键词：Optical matrix elements ; Ab-initio calculations ; Real-space cutoff technique

刊名：Computational Materials Science

出版年：2010

4.Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure

作者：Marc Torrent ; Franç ; ois Jollet ; Franç ; ois Bottin ; Gilles Zé ; rah ; Xavier Gonze

关键词：Density functional theory ; PAW ; Electronic structure ; Iron under pressure

刊名：Computational Materials Science

出版年：2008

5.Metals at finite temperature: a modified smearing scheme

作者：Verstraete ; Matthieu ; Gonze ; Xavier

刊名：Computational Materials Science

出版年：2004

6.Ab initio study of incommensurately modulated crystals

作者：Caracas ; Razvan ; Gonze ; Xavier

刊名：Computational Materials Science

出版年：2001

7.Relationship of Kohn–Sham eigenvalues to excitation energies

作者：Savin ; A. ; Umrigar ; C.J. ; Gonze ; Xavier

刊名：Chemical Physics Letters

出版年：1998

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