Suppressed and enhanced tunneling ionization of transition-metal atoms and cations: A time-dependent density-functional-theory study on nickel

Transition Metal ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Tunneling Ionization ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

The Journal of Chemical Physics ◽

10.1063/1.3300129 ◽

2010 ◽

Vol 132 (4) ◽

pp. 044314 ◽

Cited By ~ 33

Author(s):

J. I. Martínez ◽

J. M. García-Lastra ◽

M. J. López ◽

J. A. Alonso

Keyword(s):

Transition Metal ◽

Density Functional ◽

Time Dependent ◽

Many Body ◽

Functional Theory ◽

Ultraviolet Spectra ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Density functional theory study on the transition metal atoms encapsulated C20 cage clusters

Materials Research Express ◽

10.1088/2053-1591/aacc89 ◽

2018 ◽

Vol 5 (6) ◽

pp. 065605 ◽

Cited By ~ 12

Author(s):

Zhen Zhao ◽

Zhi Li ◽

Qi Wang

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Theory ◽

Metal Atoms ◽

Transition Metal Atoms ◽

C20 Cage

Time-dependent density-functional-theory study of the suppressed tunneling ionization of vanadium

Physical Review A ◽

10.1103/physreva.94.053417 ◽

2016 ◽

Vol 94 (5) ◽

Cited By ~ 3

Author(s):

Xi Chu ◽

Gerrit C. Groenenboom

Keyword(s):

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Tunneling Ionization ◽

Borophene−supported single transition metal atoms as potential oxygen evolution/reduction electrocatalysts: a density functional theory study

Journal of Molecular Modeling ◽

10.1007/s00894-021-04693-5 ◽

2021 ◽

Vol 27 (3) ◽

Author(s):

Xuewen Xu ◽

Ruihao Si ◽

Yao Dong ◽

Lanlan Li ◽

Minghui Zhang ◽

...

Keyword(s):

Transition Metal ◽

Oxygen Evolution ◽

Density Functional ◽

Functional Theory ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Single Transition ◽

Potential Oxygen

Structure, stability, and electronic structure properties of quasi-fullerenes Cn-q (n = 42, 48 and 60) doped with transition metal atoms (M = Sc, Ti, V and Cr): A Density Functional Theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2019.02.008 ◽

2019 ◽

Vol 1152 ◽

pp. 7-19 ◽

Cited By ~ 3

Author(s):

Christian A. Celaya ◽

Jesús Muñiz ◽

Luis Enrique Sansores

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Density Functional ◽

Structure Stability ◽

Functional Theory ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Structure Properties

Vibronic spectra of the lower excited singlet states of styrene: A Time Dependent Density Functional Theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2006.12.103 ◽

2007 ◽

Vol 435 (4-6) ◽

pp. 224-229 ◽

Cited By ~ 14

Author(s):

Mattijs de Groot ◽

Wybren Jan Buma

Keyword(s):

Density Functional ◽

Time Dependent ◽

Excited Singlet ◽

Functional Theory ◽

Vibronic Spectra ◽

Singlet States ◽

Excited Singlet States ◽

Time-Dependent Density Functional Theory Study of the Luminescence Properties of Gold Phosphine Thiolate Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp5104033 ◽

2015 ◽

Vol 119 (14) ◽

pp. 3337-3347 ◽

Cited By ~ 10

Author(s):

Emilie B. Guidez ◽

Christine M. Aikens

Keyword(s):

Density Functional ◽

Time Dependent ◽

Luminescence Properties ◽

Functional Theory ◽

Thiolate Complexes ◽

Conventional and acoustic surface plasmons on noble metal surfaces: A time-dependent density functional theory study

Physical Review B ◽

10.1103/physrevb.86.241404 ◽

2012 ◽

Vol 86 (24) ◽

Cited By ~ 35

Author(s):

Jun Yan ◽

Karsten W. Jacobsen ◽

Kristian S. Thygesen

Keyword(s):

Surface Plasmons ◽

Noble Metal ◽

Metal Surfaces ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfaces

The Journal of Chemical Physics ◽

10.1063/1.2967190 ◽

2008 ◽

Vol 129 (6) ◽

pp. 064705 ◽

Cited By ~ 22

Author(s):

Frans A. Asmuruf ◽

Nicholas A. Besley

Keyword(s):

Fine Structure ◽

Gas Phase ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

Physical Review B ◽

10.1103/physrevb.43.6865 ◽

1991 ◽

Vol 43 (9) ◽

pp. 6865-6872 ◽

Cited By ~ 33

Author(s):

Frank W. Kutzler ◽

G. S. Painter

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Theory ◽

Metal Atoms ◽

Transition Metal Atoms