(Q50749790)

18 March 2018

title

Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics. (English)

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18 March 2018

author name string

Colleen F Craig

series ordinal

1

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18 March 2018

Walter R Duncan

series ordinal

2

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18 March 2018

Oleg V Prezhdo

series ordinal

3

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18 March 2018

language of work or name

English

0 references

publication date

10 October 2005

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18 March 2018

published in

Physical Review Letters

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18 March 2018

volume

95

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18 March 2018

issue

16

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18 March 2018

page(s)

163001

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18 March 2018

Time-dependent density functional theory.

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1 reference

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Time-Resolved Fluorescence of Carbon Nanotubes and Its Implication for Radiative Lifetimes

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Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection across the alizarin-TiO2 interface

21 January 2018

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

21 January 2018

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Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein

21 January 2018

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Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions

21 January 2018

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A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories

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Multicomponent Density-Functional Theory for Electrons and Nuclei

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Coherent Dynamics of Photoexcited Green Fluorescent Proteins

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10.1103/PHYSREVLETT.95.163001

21 January 2018

Identifiers

DOI

1 reference

18 March 2018

PubMed ID

16241791

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18 March 2018