Exploring the reaction dynamics of O(3P)+ H2+(X2∑g+)→OH+(X3Σ−)+ H(2S) reaction with time-dependent wave packet method

In this work, the detailed reaction mechanism of the astrochemically relevant exoergic and barrierless, H + LiH+ → H2 + Li+ , reaction is investigated by both time-dependent wave packet...

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Studies of the Coriolis coupling effect on reaction dynamics of ${\rm{H}}({}^{2}{\rm{S}})+{\rm{O}}{{\rm{H}}}^{+} \rightarrow {\rm{O}}({}^{3}{\rm{P}})+{{\rm{H}}}_{2}^{+}({{\rm{{\rm X}}}}^{2}{{\rm{\Sigma }}}_{{\rm{g}}}^{+})$ using the time dependent wave packet method

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/1361-6455/ab0fd8 ◽

2019 ◽

Vol 52 (10) ◽

pp. 105201

Author(s):

Yuzhi Song ◽

Wenyi Zhang ◽

Qingtian Meng ◽

Shoubao Gao

Keyword(s):

Wave Packet ◽

Coupling Effect ◽

Reaction Dynamics ◽

Time Dependent ◽

Coriolis Coupling

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Time-dependent quantum dynamics study of the F + C2H6 → HF + C2H5 reaction

Physical Chemistry Chemical Physics ◽

10.1039/d1cp04212b ◽

2021 ◽

Author(s):

Delu Gao ◽

Dunyou Wang

Keyword(s):

Energy Efficiency ◽

Wave Packet ◽

Cross Sections ◽

Ground State ◽

Rate Constants ◽

Quantum Dynamics ◽

Reaction Dynamics ◽

Time Dependent ◽

Quantum Reaction

The reaction probabilities, integral cross sections, energy efficiency and rate constants are investigated for the F + C2H6 reaction with a quantum reaction dynamics, wave-packet method. The ground-state integer cross...

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A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2Reaction†

The Journal of Physical Chemistry A ◽

10.1021/jp810512j ◽

2009 ◽

Vol 113 (16) ◽

pp. 4145-4154 ◽

Cited By ~ 89

Author(s):

Zhigang Sun ◽

Xin Lin ◽

Soo-Y. Lee ◽

Dong H. Zhang

Keyword(s):

Wave Packet ◽

Reaction Dynamics ◽

Time Dependent

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Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach

The Journal of Chemical Physics ◽

10.1063/1.4998406 ◽

2017 ◽

Vol 147 (7) ◽

pp. 074105 ◽

Cited By ~ 27

Author(s):

Sandip Ghosh ◽

Saikat Mukherjee ◽

Bijit Mukherjee ◽

Souvik Mandal ◽

Rahul Sharma ◽

...

Keyword(s):

Potential Energy ◽

Wave Packet ◽

Ab Initio ◽

Potential Energy Surfaces ◽

Reaction Dynamics ◽

Time Dependent ◽

Energy Surfaces

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Time-dependent wave-packet approach to the quantum transport of carbon nanotubes with vacancies

Surface Science ◽

10.1016/j.susc.2007.04.221 ◽

2007 ◽

Vol 601 (22) ◽

pp. 5266-5269 ◽

Cited By ~ 2

Author(s):

Hiroyuki Ishii ◽

Nobuhiko Kobayashi ◽

Kenji Hirose

Keyword(s):

Carbon Nanotubes ◽

Wave Packet ◽

Quantum Transport ◽

Time Dependent

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Low-Energy Electron-Induced Single Strand Breaks in 2′-Deoxycytidine-3′-monophosphate Using the Local Complex Potential Based Time-Dependent Wave Packet Approach

The Journal of Physical Chemistry A ◽

10.1021/jp207952x ◽

2011 ◽

Vol 115 (47) ◽

pp. 13753-13758 ◽

Cited By ~ 10

Author(s):

Renjith B ◽

Somnath Bhowmick ◽

Manoj K. Mishra ◽

Manabendra Sarma

Keyword(s):

Wave Packet ◽

Complex Potential ◽

Single Strand ◽

Low Energy ◽

Energy Electron ◽

Time Dependent ◽

Strand Breaks ◽

Single Strand Breaks ◽

Local Complex ◽

Low Energy Electron

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A comparative study of time dependent quantum mechanical wave packet evolution methods

The Journal of Chemical Physics ◽

10.1063/1.462870 ◽

1992 ◽

Vol 96 (3) ◽

pp. 2077-2084 ◽

Cited By ~ 61

Author(s):

Thanh N. Truong ◽

John J. Tanner ◽

Piotr Bala ◽

J. Andrew McCammon ◽

Donald J. Kouri ◽

...

Keyword(s):

Wave Packet ◽

Comparative Study ◽

Time Dependent ◽

Quantum Mechanical ◽

Mechanical Wave ◽

Quantum Mechanical Wave Packet

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GEOMETRIC PHASES, SQUEEZED QUANTUM STATES AND GAUSSIAN WAVE PACKET STATES OF RELIC GRAVITONS

International Journal of Modern Physics Conference Series ◽

10.1142/s2010194512008136 ◽

2012 ◽

Vol 18 ◽

pp. 13-17

Author(s):

K. BAKKE ◽

I. A. PEDROSA ◽

C. FURTADO

Keyword(s):

Wave Packet ◽

Linear Time ◽

Invariant Operator ◽

Quantum States ◽

Time Dependent ◽

Gaussian Wave Packet ◽

Geometric Phases ◽

Uncertainty Product ◽

Quantized Field ◽

Generalized Time

In this contribution, we discuss quantum effects on relic gravitons described by the Friedmann-Robertson-Walker (FRW) spacetime background by reducing the problem to that of a generalized time-dependent harmonic oscillator, and find the corresponding Schrödinger states with the help of the dynamical invariant method. Then, by considering a quadratic time-dependent invariant operator, we show that we can obtain the geometric phases and squeezed quantum states for this system. Furthermore, we also show that we can construct Gaussian wave packet states by considering a linear time-dependent invariant operator. In both cases, we also discuss the uncertainty product for each mode of the quantized field.

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Time-dependent wave packet study on trans-cis isomerization of HONO

The Journal of Chemical Physics ◽

10.1063/1.1651051 ◽

2004 ◽

Vol 120 (13) ◽

pp. 6072-6084 ◽

Cited By ~ 45

Author(s):

Falk Richter ◽

Pavel Rosmus ◽

Fabien Gatti ◽

Hans-Dieter Meyer

Keyword(s):

Wave Packet ◽

Time Dependent

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