Ab initio investigations on Excited State Dynamics in Condensed Matter Systems

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doi:10.7498/aps.70.20210626

Ab initio investigations on Excited State Dynamics in Condensed Matter Systems

Acta Physica Sinica ◽

10.7498/aps.70.20210626 ◽

2021 ◽

Vol 0 (0) ◽

pp. 0-0

Author(s):

◽

Keyword(s):

Excited State ◽

Ab Initio ◽

Condensed Matter ◽

Excited State Dynamics

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Femtosecond spectroscopy of ultrafast nonadiabatic excited-state dynamics on the basis of ab initio potential-energy surfaces: the S2 state of pyrazine

The Journal of Physical Chemistry ◽

10.1021/j100150a004 ◽

1993 ◽

Vol 97 (48) ◽

pp. 12466-12472 ◽

Cited By ~ 33

Author(s):

Gerhard Stock ◽

Wolfgang Domcke

Keyword(s):

Excited State ◽

Potential Energy ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Femtosecond Spectroscopy ◽

Excited State Dynamics ◽

S2 State ◽

Energy Surfaces

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Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media

The Journal of Physical Chemistry A ◽

10.1021/jp103101t ◽

2010 ◽

Vol 114 (25) ◽

pp. 6757-6765 ◽

Cited By ~ 56

Author(s):

Matthias Ruckenbauer ◽

Mario Barbatti ◽

Thomas Müller ◽

Hans Lischka

Keyword(s):

Excited State ◽

Ab Initio ◽

Quantum Mechanical ◽

Excited State Dynamics ◽

Mechanical Methods

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Excited state dynamics of Photoactive Yellow Protein chromophores elucidated by high-resolution spectroscopy and ab initio calculations

Faraday Discussions ◽

10.1039/c2fd20139a ◽

2013 ◽

Vol 163 ◽

pp. 321 ◽

Cited By ~ 27

Author(s):

Eric M. M. Tan ◽

Saeed Amirjalayer ◽

Bert H. Bakker ◽

Wybren J. Buma

Keyword(s):

Excited State ◽

High Resolution ◽

Ab Initio Calculations ◽

Ab Initio ◽

High Resolution Spectroscopy ◽

Photoactive Yellow Protein ◽

Excited State Dynamics

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Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.2822276 ◽

2008 ◽

Vol 128 (3) ◽

pp. 034304 ◽

Cited By ~ 18

Author(s):

Anupriya Kumar ◽

Maciej Kołaski ◽

Kwang S. Kim

Keyword(s):

Molecular Dynamics ◽

Excited State ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ground State ◽

Excited State Dynamics ◽

Ground State Structures ◽

Dynamics Simulations

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Insights for Light-Driven Molecular Devices from ab initio Multiple Spawning Excited-State Dynamics of Organic and Biological Chromophores

ChemInform ◽

10.1002/chin.200618276 ◽

2006 ◽

Vol 37 (18) ◽

Author(s):

Todd J. Martinez

Keyword(s):

Excited State ◽

Ab Initio ◽

Molecular Devices ◽

Excited State Dynamics ◽

Multiple Spawning

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Excited state dynamics in SO2. III. An ab initio quantum study of single- and multi-photon ionization

The Journal of Chemical Physics ◽

10.1063/1.4875037 ◽

2014 ◽

Vol 140 (20) ◽

pp. 204303 ◽

Cited By ~ 9

Author(s):

Camille Lévêque ◽

Horst Köppel ◽

Richard Taïeb

Keyword(s):

Excited State ◽

Ab Initio ◽

Excited State Dynamics ◽

Photon Ionization

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Ab Initio Excited-State Dynamics of the Photoactive Yellow Protein Chromophore

Journal of the American Chemical Society ◽

10.1021/ja0365025 ◽

2003 ◽

Vol 125 (42) ◽

pp. 12710-12711 ◽

Cited By ~ 79

Author(s):

Chaehyuk Ko ◽

Benjamin Levine ◽

A. Toniolo ◽

Leslie Manohar ◽

Seth Olsen ◽

...

Keyword(s):

Excited State ◽

Ab Initio ◽

Photoactive Yellow Protein ◽

Excited State Dynamics

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Excited state dynamics of acrylonitrile: Substituent effects at conical intersections interrogated via time-resolved photoelectron spectroscopy and ab initio simulation

The Journal of Chemical Physics ◽

10.1063/1.4962170 ◽

2016 ◽

Vol 145 (11) ◽

pp. 114306 ◽

Cited By ~ 10

Author(s):

Ryan J. MacDonell ◽

Oliver Schalk ◽

Ting Geng ◽

Richard D. Thomas ◽

Raimund Feifel ◽

...

Keyword(s):

Excited State ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Substituent Effects ◽

Conical Intersections ◽

Time Resolved ◽

Ab Initio Simulation ◽

Excited State Dynamics

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Influence of Defects on Excited-State Dynamics in Lead Halide Perovskites: Time-Domain ab Initio Studies

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.9b00641 ◽

2019 ◽

Vol 10 (13) ◽

pp. 3788-3804 ◽

Cited By ~ 26

Author(s):

Wei Li ◽

Run Long ◽

Jianfeng Tang ◽

Oleg V. Prezhdo

Keyword(s):

Excited State ◽

Ab Initio ◽

Time Domain ◽

Excited State Dynamics ◽

Halide Perovskites ◽

Lead Halide

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Excited state dynamics of the s-trans-1, 3-butadiene cation: An ab initio quantum dynamical analysis

The Journal of Chemical Physics ◽

10.1063/1.5108610 ◽

2019 ◽

Vol 151 (10) ◽

pp. 104105

Author(s):

Behnam Nikoobakht ◽

Andreas Dreuw ◽

Horst Köppel

Keyword(s):

Excited State ◽

Ab Initio ◽

Dynamical Analysis ◽

Excited State Dynamics ◽

Quantum Dynamical

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