Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

Jeppe Gavnholt; Angel Rubio; Thomas Olsen; Kristian S. Thygesen; Jakob Schiøtz

doi:10.1103/physrevb.79.195405

Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

Physical Review B ◽

10.1103/physrevb.79.195405 ◽

2009 ◽

Vol 79 (19) ◽

Cited By ~ 18

Author(s):

Jeppe Gavnholt ◽

Angel Rubio ◽

Thomas Olsen ◽

Kristian S. Thygesen ◽

Jakob Schiøtz

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Theory Approach ◽

Hot Electron ◽

Functional Theory ◽

Dependent Density

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Combined Bethe-Saltpeter equations and time-dependent density-functional theory approach for x-ray absorption calculations

Physical Review B ◽

10.1103/physrevb.71.165110 ◽

2005 ◽

Vol 71 (16) ◽

Cited By ~ 34

Author(s):

A. L. Ankudinov ◽

Y. Takimoto ◽

J. J. Rehr

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

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Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach

The Journal of Chemical Physics ◽

10.1063/1.2757168 ◽

2007 ◽

Vol 127 (7) ◽

pp. 074504 ◽

Cited By ~ 339

Author(s):

Roberto Improta ◽

Giovanni Scalmani ◽

Michael J. Frisch ◽

Vincenzo Barone

Keyword(s):

Density Functional Theory ◽

Continuum Model ◽

Density Functional ◽

Polarizable Continuum Model ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

Polarizable Continuum ◽

Dependent Density

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Surface-Enhanced Vibrational Raman Optical Activity: A Time-Dependent Density Functional Theory Approach†

The Journal of Physical Chemistry A ◽

10.1021/jp811084x ◽

2009 ◽

Vol 113 (16) ◽

pp. 4437-4444 ◽

Cited By ~ 29

Author(s):

Lasse Jensen

Keyword(s):

Density Functional Theory ◽

Optical Activity ◽

Density Functional ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

Raman Optical Activity ◽

Surface Enhanced ◽

Dependent Density

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Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach

Journal of Chemical Theory and Computation ◽

10.1021/ct600283t ◽

2006 ◽

Vol 3 (2) ◽

pp. 434-447 ◽

Cited By ~ 35

Author(s):

Michael Seth ◽

Jochen Autschbach ◽

Tom Ziegler

Keyword(s):

Density Functional Theory ◽

Circular Dichroism ◽

Density Functional ◽

Magnetic Circular Dichroism ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

Circular Dichroïsm ◽

Dependent Density

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Subcycle dynamics of high-harmonic generation in valence-shell and virtual states of Ar atoms: A self-interaction-free time-dependent density-functional-theory approach

Physical Review A ◽

10.1103/physreva.91.023420 ◽

2015 ◽

Vol 91 (2) ◽

Cited By ~ 6

Author(s):

John Heslar ◽

Dmitry A. Telnov ◽

Shih-I Chu

Keyword(s):

Density Functional Theory ◽

Harmonic Generation ◽

Density Functional ◽

High Harmonic ◽

High Harmonic Generation ◽

Time Dependent ◽

Theory Approach ◽

Valence Shell ◽

Functional Theory ◽

Dependent Density

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CHAPTER 12. Real-time and Real-space Time-dependent Density-functional Theory Approach to Attosecond Dynamics

Theoretical and Computational Chemistry Series - Attosecond Molecular Dynamics ◽

10.1039/9781788012669-00424 ◽

2018 ◽

pp. 424-461 ◽

Cited By ~ 1

Author(s):

Umberto de Giovannini ◽

Alberto Castro

Keyword(s):

Density Functional Theory ◽

Real Time ◽

Density Functional ◽

Real Space ◽

Space Time ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

Dependent Density

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The polarisability of atoms and molecules: a comparison between a conceptual density functional theory approach and time-dependent density functional theory

Molecular Physics ◽

10.1080/00268976.2015.1021110 ◽

2015 ◽

Vol 113 (13-14) ◽

pp. 1890-1898 ◽

Cited By ~ 9

Author(s):

Zino Boisdenghien ◽

Stijn Fias ◽

Fabiana Da Pieve ◽

Frank De Proft ◽

Paul Geerlings

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Theory Approach ◽

Conceptual Density Functional Theory ◽

Functional Theory ◽

Atoms And Molecules ◽

Dependent Density

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Photoionization of mercury: A relativistic time-dependent density-functional-theory approach

Physical Review A ◽

10.1103/physreva.66.012501 ◽

2002 ◽

Vol 66 (1) ◽

Cited By ~ 16

Author(s):

D. Toffoli ◽

M. Stener ◽

P. Decleva

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

Relativistic Time ◽

Dependent Density

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Subcycle dynamics of high-order-harmonic generation of He atoms excited by attosecond pulses and driven by near-infrared laser fields: A self-interaction-free time-dependent density-functional-theory approach

Physical Review A ◽

10.1103/physreva.89.052517 ◽

2014 ◽

Vol 89 (5) ◽

Cited By ~ 7

Author(s):

John Heslar ◽

Dmitry A. Telnov ◽

Shih-I Chu

Keyword(s):

Density Functional Theory ◽

Harmonic Generation ◽

Density Functional ◽

Near Infrared ◽

Time Dependent ◽

Theory Approach ◽

High Order Harmonic Generation ◽

Functional Theory ◽

High Order Harmonic ◽

Dependent Density

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A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach for the Electronic Excitation Spectra of Very Large Diradicals

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b03176 ◽

2019 ◽

Vol 123 (27) ◽

pp. 5815-5825 ◽

Cited By ~ 8

Author(s):

Marc de Wergifosse ◽

Christoph Bannwarth ◽

Stefan Grimme

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Excitation ◽

Time Dependent ◽

Theory Approach ◽

Excitation Spectra ◽

Functional Theory ◽

Spin Flip ◽

Dependent Density

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