Nonadiabatic nuclear dynamics in the ammonia cation studied by the branching classical trajectory method

A. K. Belyaev; O. V. Lebedev; W. Domcke

doi:10.1088/1742-6596/388/10/102005

Nonadiabatic nuclear dynamics in the ammonia cation studied by the branching classical trajectory method

A. K. Belyaev, O. V. Lebedev, W. Domcke

Lehrstuhl für Theoretische Chemie

Publikation: Beitrag in Fachzeitschrift › Konferenzartikel › Begutachtung

Abstract

The photoinduced nonadiabatic nuclear dynamics of the ammonia cation is studied by the branching classical trajectory approach. The time-dependent populations of different electronic states of the ammonia cation are calculated and are in good agreement with the results of full quantum calculations.

Originalsprache	Englisch
Aufsatznummer	102005
Fachzeitschrift	Journal of Physics: Conference Series
Jahrgang	388
Ausgabenummer	PART 10
DOIs	https://doi.org/10.1088/1742-6596/388/10/102005
Publikationsstatus	Veröffentlicht - 2012
Veranstaltung	27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011 - Belfast, Großbritannien/Vereinigtes Königreich Dauer: 27 Juli 2011 → 2 Aug. 2011

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10.1088/1742-6596/388/10/102005

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title = "Nonadiabatic nuclear dynamics in the ammonia cation studied by the branching classical trajectory method",

abstract = "The photoinduced nonadiabatic nuclear dynamics of the ammonia cation is studied by the branching classical trajectory approach. The time-dependent populations of different electronic states of the ammonia cation are calculated and are in good agreement with the results of full quantum calculations.",

author = "Belyaev, {A. K.} and Lebedev, {O. V.} and W. Domcke",

year = "2012",

doi = "10.1088/1742-6596/388/10/102005",

language = "English",

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journal = "Journal of Physics: Conference Series",

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AU - Belyaev, A. K.

AU - Lebedev, O. V.

AU - Domcke, W.

PY - 2012

Y1 - 2012

N2 - The photoinduced nonadiabatic nuclear dynamics of the ammonia cation is studied by the branching classical trajectory approach. The time-dependent populations of different electronic states of the ammonia cation are calculated and are in good agreement with the results of full quantum calculations.

AB - The photoinduced nonadiabatic nuclear dynamics of the ammonia cation is studied by the branching classical trajectory approach. The time-dependent populations of different electronic states of the ammonia cation are calculated and are in good agreement with the results of full quantum calculations.

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U2 - 10.1088/1742-6596/388/10/102005

DO - 10.1088/1742-6596/388/10/102005

M3 - Conference article

AN - SCOPUS:84870585136

SN - 1742-6588

VL - 388

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

IS - PART 10

M1 - 102005

T2 - 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011

Y2 - 27 July 2011 through 2 August 2011

ER -

Nonadiabatic nuclear dynamics in the ammonia cation studied by the branching classical trajectory method

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