Comment on “Density functional theory study of some structural and energetic properties of small lithium clusters” [J. Chem. Phys. 105, 9933 (1996)]

The Journal of Chemical Physics ◽

10.1063/1.474472 ◽

1997 ◽

Vol 107 (3) ◽

pp. 1032-1033 ◽

Author(s):

Constantine Yannouleas ◽

Uzi Landman

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chem Phys ◽

Density Functional Theory Study ◽

Functional Theory ◽

Energetic Properties ◽

Lithium Clusters

Download Full-text

Response to “Comment on ‘Density functional theory study of some structural and energetic properties of small lithium clusters’ ” [J. Chem. Phys. 107, 1032 (1997)]

The Journal of Chemical Physics ◽

10.1063/1.474473 ◽

1997 ◽

Vol 107 (3) ◽

pp. 1034-1034 ◽

Author(s):

Georges Gardet ◽

Frangois Rogemond ◽

Henry Chermette

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chem Phys ◽

Density Functional Theory Study ◽

Functional Theory ◽

Energetic Properties ◽

Lithium Clusters

Download Full-text

Density functional theory study of some structural and energetic properties of small lithium clusters

The Journal of Chemical Physics ◽

10.1063/1.472826 ◽

1996 ◽

Vol 105 (22) ◽

pp. 9933-9947 ◽

Author(s):

Georges Gardet ◽

François Rogemond ◽

Henry Chermette

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Energetic Properties ◽

Lithium Clusters

Download Full-text

Structural, electronic, and energetic properties ofSiC[111]∕ZrB2[0001]heterojunctions: A first-principles density functional theory study

Physical Review B ◽

10.1103/physrevb.77.035326 ◽

2008 ◽

Vol 77 (3) ◽

Author(s):

Po-Liang Liu ◽

A. V. G. Chizmeshya ◽

John Kouvetakis

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Energetic Properties

Download Full-text

Plane-Wave Density Functional Theory Study on the Structural and Energetic Properties of Cation-Disordered Mg−Al Layered Double Hydroxides

The Journal of Physical Chemistry A ◽

10.1021/jp9121003 ◽

2010 ◽

Vol 114 (27) ◽

pp. 7369-7376 ◽

Author(s):

Hong Yan ◽

Min Wei ◽

Jing Ma ◽

David G. Evans ◽

Xue Duan

Keyword(s):

Density Functional Theory ◽

Layered Double Hydroxides ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Energetic Properties ◽

Double Hydroxides

Download Full-text

Structural, electronic and energetic properties of GaN[0001]/Ga2O3[100] heterojunctions: A first-principles density functional theory study

Scripta Materialia ◽

10.1016/j.scriptamat.2011.05.028 ◽

2011 ◽

Vol 65 (6) ◽

pp. 465-468 ◽

Author(s):

Po-Liang Liu ◽

Yu-Jin Siao ◽

Yen-Ting Wu ◽

Chih-Hao Wang ◽

Chien-Shun Chen

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Energetic Properties

Download Full-text

Correction: Density functional theory study of superoxide ions as impurities in alkali halides

Physical Chemistry Chemical Physics ◽

10.1039/d0cp90113j ◽

2020 ◽

Vol 22 (25) ◽

pp. 14376-14376

Author(s):

Alexander S. Tygesen ◽

Nicolai R. Mathiesen ◽

Jin Hyun Chang ◽

Juan María García-Lastra

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Alkali Halides ◽

Chem Phys ◽

Density Functional Theory Study ◽

Functional Theory ◽

Phys Chem Chem Phys

Correction for ‘Density functional theory study of superoxide ions as impurities in alkali halides’ by Alexander S. Tygesen et al., Phys. Chem. Chem. Phys., 2020, DOI: 10.1039/d0cp00719f.

Download Full-text

The plasmon excitations in small lithium clusters: A time-dependent density functional theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2020.137235 ◽

2020 ◽

Vol 745 ◽

pp. 137235

Author(s):

Xuhai Hong ◽

Muhong Hu ◽

Feng Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Lithium Clusters ◽

Dependent Density

Download Full-text

Formation of lithium clusters and their effects on conductivity in diamond: A density functional theory study

Diamond and Related Materials ◽

10.1016/j.diamond.2007.01.008 ◽

2007 ◽

Vol 16 (4-7) ◽

pp. 840-844 ◽

Author(s):

Hulusi Yilmaz ◽

Brad R. Weiner ◽

Gerardo Morell

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Lithium Clusters

Download Full-text

Erratum: Density functional theory study of water dissociation in a double water bilayer with or without coadsorption of CO on Pt(111) [J. Chem. Phys. 124, 184704 (2006)]

The Journal of Chemical Physics ◽

10.1063/1.2742387 ◽

2007 ◽

Vol 126 (21) ◽

pp. 219901 ◽

Author(s):

J. G. Wang ◽

B. Hammer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chem Phys ◽

Water Dissociation ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text