Non-Born-Oppenheimer dynamics of the photoionized Zundel cation: a quantum wavepacket and surface-hopping study. (Q34619399)

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25 February 2020

title

Non-Born-Oppenheimer dynamics of the photoionized Zundel cation: a quantum wavepacket and surface-hopping study (English)

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25 February 2020

1

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25 February 2020

Mohamed El-Amine Madjet

series ordinal

2

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25 February 2020

Oriol Vendrell

series ordinal

3

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25 February 2020

author name string

Zheng Li

series ordinal

1

1 reference

3 August 2017

language of work or name

English

0 references

publication date

1 March 2013

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Journal of Chemical Physics

25 February 2020

published in

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volume

138

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issue

9

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page(s)

094313

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Beyond Born-Oppenheimer: molecular dynamics through a conical intersection

25 February 2020

cites work

1 reference

Studies of the Jahn-Teller Effect. II. The Dynamical Problem

21 January 2018

1 reference

Dynamics and fragmentation of van der Waals clusters: (H2O)n, (CH3OH)n, and (NH3)n upon ionization by a 26.5 eV soft x-ray laser

21 January 2018

1 reference

Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine

21 January 2018

1 reference

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21 January 2018

1 reference

Fragmentation pathways of H+(H2O)2 after extreme ultraviolet photoionization.

21 January 2018

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

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21 January 2018

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Ab initio quantum dynamical study of photoinduced ring opening in furan.

21 January 2018

1 reference

Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry.

21 January 2018

1 reference

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

21 January 2018

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Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

21 January 2018

1 reference

Implementation of surface hopping molecular dynamics using semiempirical methods

21 January 2018

1 reference

Test of Trajectory Surface Hopping Against Accurate Quantum Dynamics for an Electronically Nonadiabatic Chemical Reaction

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.4793274

1 reference

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25 February 2020

1 reference

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