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Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: the role of spectroscopically dark states

scientific article published in February 2008

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Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: the role of spectroscopically dark states (English)

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Todd J. Martinez

2

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Joshua D. Coe

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1

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publication date

February 2008

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published in

Molecular Physics

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volume

106

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issue

2-4

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page(s)

537-545

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cites work

Coherent nuclear wavepacket motions in ultrafast excited-state intramolecular proton transfer: sub-30-fs resolved pump-probe absorption spectroscopy of 10-hydroxybenzo[h]quinoline in solution

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21 January 2018

Ab initio molecular dynamics of excited-state intramolecular proton transfer around a three-state conical intersection in malonaldehyde

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21 January 2018

Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory†

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21 January 2018

Competitive decay at two- and three-state conical intersections in excited-state intramolecular proton transfer

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21 January 2018

Coherent control in the presence of intrinsic decoherence: proton transfer in large molecular systems

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21 January 2018

Isomerization through conical intersections

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21 January 2018

Conical intersections and double excitations in time-dependent density functional theory

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21 January 2018

A quadratically convergent MCSCF method for the simultaneous optimization of several states

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21 January 2018

Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics

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21 January 2018

Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics

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21 January 2018

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10.1080/00268970801901514

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(Q57742331)

Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: the role of spectroscopically dark states

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