Literature DB >> 28059729

A conundrum for density functional theory.

Sharon Hammes-Schiffer1.   

Abstract

Mesh：

Year:  2017        PMID： 28059729     DOI： 10.1126/science.aal3442

Source DB:  PubMed          Journal:  Science        ISSN： 0036-8075            Impact factor:   47.728


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  6 in total

1.  Doubly hybrid density functionals that correctly describe both density and energy for atoms.

Authors:  Neil Qiang Su; Zhenyu Zhu; Xin Xu
Journal:  Proc Natl Acad Sci U S A       Date:  2018-02-14       Impact factor: 11.205

2.  Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.

Authors:  Stefan Vuckovic; Paola Gori-Giorgi
Journal:  J Phys Chem Lett       Date:  2017-06-09       Impact factor: 6.475

3.  Fast and accurate quantum Monte Carlo for molecular crystals.

Authors:  Andrea Zen; Jan Gerit Brandenburg; Jiří Klimeš; Alexandre Tkatchenko; Dario Alfè; Angelos Michaelides
Journal:  Proc Natl Acad Sci U S A       Date:  2018-02-05       Impact factor: 11.205

4.  Globally stabilized bent carbon-carbon triple bond by hydrogen-free inorganic-metallic scaffolding Al4F6.

Authors:  Ying-Ying Xue; Ying Zhang; Zhong-Hua Cui; Yi-Hong Ding
Journal:  RSC Adv       Date:  2020-07-03       Impact factor: 4.036

Review 5.  A Review of Performance Prediction Based on Machine Learning in Materials Science.

Authors:  Ziyang Fu; Weiyi Liu; Chen Huang; Tao Mei
Journal:  Nanomaterials (Basel)       Date:  2022-08-26       Impact factor: 5.719

Review 6.  Chemical Bonding: The Journey from Miniature Hooks to Density Functional Theory.

Authors:  Edwin C Constable; Catherine E Housecroft
Journal:  Molecules       Date:  2020-06-05       Impact factor: 4.411
  6 in total

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