Literature DB >> 9974702

Applications of Engel and Vosko's generalized gradient approximation in solids.

.   

Abstract

Year:  1994        PMID： 9974702     DOI： 10.1103/physrevb.50.7279

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


× No keyword cloud information.
  4 in total

1.  How close are the Slater and Becke-Roussel potentials in solids?

Authors:  Fabien Tran; Peter Blaha; Karlheinz Schwarz
Journal:  J Chem Theory Comput       Date:  2015-10-13       Impact factor: 6.006

2.  Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory.

Authors:  Fabien Tran; Peter Blaha
Journal:  J Phys Chem A       Date:  2017-04-19       Impact factor: 2.781

3.  Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO2 Detection: A First-Principles Study.

Authors:  Soufiane Krik; Matteo Valt; Andrea Gaiardo; Barbara Fabbri; Elena Spagnoli; Maria Caporali; Cesare Malagù; Pierluigi Bellutti; Vincenzo Guidi
Journal:  ACS Omega       Date:  2022-03-10

4.  Computational Study of Elastic, Structural, Electronic, and Optical Properties of GaMF3 (M = Be and Ge) Fluoroperovskites, Based on Density Functional Theory.

Authors:  Hukam Khan; Mohammad Sohail; Nasir Rahman; Rajwali Khan; Mudasser Hussain; Asad Ullah; Aurangzeb Khan; Abed Alataway; Ahmed Z Dewidar; Hosam O Elansary; Kowiyou Yessoufou
Journal:  Molecules       Date:  2022-08-18       Impact factor: 4.927
  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.