Literature DB >> 9985770

Optimal basis sets for detailed Brillouin-zone integrations.

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Abstract

Year:  1996        PMID： 9985770     DOI： 10.1103/physrevb.54.16464

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  6 in total

1.  Quasiparticle Lifetime Broadening in Resonant X-ray Scattering of NH4NO3.

Authors:  John Vinson; Terrence Jach; Matthias Müller; Rainer Unterumsberger; Burkhard Beckhoff
Journal:  Phys Rev B       Date:  2016-07-29       Impact factor: 4.036

2.  Quantitative first-principles calculations of valence and core excitation spectra of solid C60.

Authors:  F Fossard; G Hug; K Gilmore; J J Kas; J J Rehr; F D Vila; E L Shirley
Journal:  Phys Rev B       Date:  2017-03-08       Impact factor: 4.036

3.  Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

Authors:  Yufeng Liang; John Vinson; Sri Pemmaraju; Walter S Drisdell; Eric L Shirley; David Prendergast
Journal:  Phys Rev Lett       Date:  2017-03-03       Impact factor: 9.161

4.  Cooperative insertion of CO2 in diamine-appended metal-organic frameworks.

Authors:  Thomas M McDonald; Jarad A Mason; Xueqian Kong; Eric D Bloch; David Gygi; Alessandro Dani; Valentina Crocellà; Filippo Giordanino; Samuel O Odoh; Walter S Drisdell; Bess Vlaisavljevich; Allison L Dzubak; Roberta Poloni; Sondre K Schnell; Nora Planas; Kyuho Lee; Tod Pascal; Liwen F Wan; David Prendergast; Jeffrey B Neaton; Berend Smit; Jeffrey B Kortright; Laura Gagliardi; Silvia Bordiga; Jeffrey A Reimer; Jeffrey R Long
Journal:  Nature       Date:  2015-03-11       Impact factor: 49.962

5.  Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations.

Authors:  Eric J Bylaska; Duo Song; Nicholas P Bauman; Karol Kowalski; Daniel Claudino; Travis S Humble
Journal:  Front Chem       Date:  2021-03-18       Impact factor: 5.221

6.  Mapping Catalytically Relevant Edge Electronic States of MoS2.

Authors:  Abhishek Parija; Yun-Hyuk Choi; Zhuotong Liu; Justin L Andrews; Luis R De Jesus; Sirine C Fakra; Mohammed Al-Hashimi; James D Batteas; David Prendergast; Sarbajit Banerjee
Journal:  ACS Cent Sci       Date:  2018-04-03       Impact factor: 14.553
  6 in total

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