Electronic Control of Initial Nuclear Dynamics Adjacent to a Conical Intersection

2014 ◽  
Vol 119 (21) ◽  
pp. 5165-5172 ◽  
Author(s):  
Morgane Vacher ◽  
Jan Meisner ◽  
David Mendive-Tapia ◽  
Michael J. Bearpark ◽  
Michael A. Robb
Keyword(s):  
Conical Intersection ◽  
Electronic Control ◽  
Nuclear Dynamics

scholarly journals Sub-laser-cycle control of coupled electron–nuclear dynamics at a conical intersection

2015 ◽  
Vol 17 (11) ◽  
pp. 113023 ◽  
Author(s):  
Maria Richter ◽  
Foudhil Bouakline ◽  
Jesús González-Vázquez ◽  
Lara Martínez-Fernández ◽  
Inés Corral ◽  
...  
Keyword(s):  
Conical Intersection ◽  
Nuclear Dynamics ◽  
Laser Cycle

scholarly journals Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

2013 ◽  
Vol 139 (4) ◽  
pp. 044110 ◽  
Author(s):  
David Mendive-Tapia ◽  
Morgane Vacher ◽  
Michael J. Bearpark ◽  
Michael A. Robb
Keyword(s):  
Charge Transfer ◽  
Conical Intersection ◽  
Charge Migration ◽  
Nuclear Dynamics

scholarly journals Resolving Competing Conical Intersection Pathways: Time-Resolved X-ray Absorption Spectroscopy of trans-1,3-Butadiene

2021 ◽  
Author(s):  
Issaka Seidu ◽  
Simon Neville ◽  
Ryan J MacDonell ◽  
Michael S. Schuurman
Keyword(s):  
Absorption Spectroscopy ◽  
Conical Intersection ◽  
Theoretical Studies ◽  
Nuclear Dynamics ◽  
Time Resolved ◽  
X Ray ◽  
Excited Molecules ◽  
X Ray Absorption

Time-resolved X-ray absorption spectroscopy is emerging as a uniquely powerful tool to probe coupled electronic-nuclear dynamics in photo-excited molecules. Theoretical studies to date have established that time-resolved X-ray absorption spectroscopy...

scholarly journals Control of nuclear dynamics in the benzene cation by electronic wavepacket composition

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Thierry Tran ◽  
Graham A. Worth ◽  
Michael A. Robb
Keyword(s):  
Extreme Ultraviolet ◽  
Initial Conditions ◽  
Chemical Reactivity ◽  
Electronic States ◽  
Time Dependent ◽  
Electronic Control ◽  
Electron Dynamics ◽  
Nuclear Dynamics ◽  
Successive Passage ◽  
Dynamics Simulations

AbstractThe study of coupled electron-nuclear dynamics driven by coherent superpositions of electronic states is now possible in attosecond science experiments. The objective is to understand the electronic control of chemical reactivity. In this work we report coherent 8-state non-adiabatic electron-nuclear dynamics simulations of the benzene radical cation. The computations were inspired by the extreme ultraviolet (XUV) experimental results in which all 8 electronic states were prepared with significant population. Our objective was to study the nuclear dynamics using various bespoke coherent electronic state superpositions as initial conditions in the Quantum-Ehrenfest method. The original XUV measurements were supported by Multi-configuration time-dependent Hartree (MCTDH) simulations, which suggested a model of successive passage through conical intersections. The present computations support a complementary model where non-adiabatic events are seen far from a conical intersection and are controlled by electron dynamics involving non-adjacent adiabatic states. It proves to be possible to identify two superpositions that can be linked with two possible fragmentation paths.

A GEOMETRIC APPROACH TO DISSIPATION AND ITS APPLICATION TO DISSIPATIVE NUCLEAR DYNAMICS

1984 ◽  
Vol 45 (C6) ◽  
pp. C6-87-C6-94
Author(s):  
H. Reinhardt ◽  
R. Balian ◽  
Y. Alhassid
Keyword(s):  
Geometric Approach ◽  
Nuclear Dynamics

КОНЦЕПЦІЯ СТВОРЕННЯ СИЛОВОЇ УСТАНОВКИ СІМЕЙСТВА РЕГІОНАЛЬНИХ ПАСАЖИРСЬКИХ ЛІТАКІВ АН-148/АН-158

2019 ◽  
pp. 50-63
Author(s):  
О. Д. Донець ◽  
В. П. Іщук
Keyword(s):  
Power Plant ◽  
Noise Reduction ◽  
Fuel Consumption ◽  
Electronic System ◽  
Electronic Control ◽  
Level Of Automation ◽  
Auxiliary Power ◽  
Power Plant Control ◽  
Technical Status ◽  
Air Intake

The basic results of calculation and research works carried out in the process of creation of power unit of regional passenger airplanes’ family are given. The design features of the propulsion engines and engine of the auxiliary power plant are described. The aforementioned propulsion system includes propulsion engines D-436-148 and engine AI-450-MS of auxiliary power plant. In order to comply with the requirements of Section 4 of the ICAO standard (noise reduction of the aircraft in site), in part of ensuring the noise reduction of engines, when creating the power plant of the An-148/An-158 aircraft family, a single- and double-layer acoustic filler was used in the structure of the engine nacelle and air intake. The use of electronic system for automatic control of propulsion engines such as FADEC and its integration into the digital airborne aircraft complex ensured the operation of engines, included in the power plant provided with high specific fuel consumption, as well as increased the level of automation of the power plant control and monitoring, and ensured aircraft automation landing in ICAO category 3A. In addition, the use of the aforementioned electronic system, allowed to operate the power plant of the aircraft in accordance with technical status. The use of the AI-450-MS auxiliary power plant with an electronic control system such as FADEC, and the drive of the service compressor from a free turbine, eliminated the effect of changes in power and air takeoff, on the deviation of the engine from optimal mode, which also minimized the fuel consumption. The use of fuel metering system TIS-158, allowed to ensure control of its condition and assemblies, without the use of auxiliary devices, built-in control means. In the fire protection system, the use of the electronic control and monitor unit, as well as the use of digital serial code for the exchange of information between the elements of the system and the aircraft systems, has reduced the number of connections, which increased the reliability of the system and reduced its weight characteristics.

Effect of Contact Failure of Connector in Electronic Control Units on Radiated Emissions

2012 ◽  
Vol 132 (6) ◽  
pp. 456-457
Author(s):  
Kazuya Uehara ◽  
Yu-Ichi Hayashi ◽  
Takaaki Mizuki ◽  
Hideaki Sone
Keyword(s):  
Electronic Control ◽  
Control Units ◽  
Radiated Emissions ◽  
Contact Failure
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