Mode specificity in the H + H2O → H2+ OH reaction: A full-dimensional quantum dynamics study

2013 ◽  
Vol 138 (18) ◽  
pp. 184308 ◽  
Author(s):  
Bina Fu ◽  
Dong H. Zhang
Keyword(s):  
Quantum Dynamics ◽  
Mode Specificity

State-to-state mode specificity in H + DOH(νOH = 1) → HD + OH(ν2 = 0) reaction: vibrational non-adiabaticity or local-mode excitation?

2018 ◽  
Vol 20 (1) ◽  
pp. 191-198 ◽  
Author(s):  
Bin Zhao ◽  
Zhigang Sun ◽  
Hua Guo
Keyword(s):  
Quantum Dynamics ◽  
State Of The Art ◽  
Local Mode ◽  
Interesting Observation ◽  
Mode Excitation ◽  
Mode Specificity

State-of-the-art full dimensional state-to-state quantum dynamics reveal a startling observation in which the DOH(νOH = 1) molecule reacts with a H atom to produce a vibrationless OH product. This interesting observation is attributed to a small OD excited local-mode component in the reactant wavefunction.

An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111)

2017 ◽  
Vol 19 (19) ◽  
pp. 11960-11967 ◽  
Author(s):  
Tianhui Liu ◽  
Bina Fu ◽  
Dong H. Zhang
Keyword(s):  
Quantum Dynamics ◽  
Reaction Dynamics ◽  
Dissociative Chemisorption ◽  
Mode Specificity

The approximate 9D dissociation probabilities for D2O/Cu(111) are obtained to investigate the influence of mode specificity on reaction dynamics.

Mode specificity for the dissociative chemisorption of H2O on Cu(111): a quantum dynamics study on an accurately fitted potential energy surface

2016 ◽  
Vol 18 (12) ◽  
pp. 8537-8544 ◽  
Author(s):  
Tianhui Liu ◽  
Zhaojun Zhang ◽  
Bina Fu ◽  
Xueming Yang ◽  
Dong H. Zhang
Keyword(s):  
Neural Network ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Dissociative Chemisorption ◽  
Mode Specificity

The mode-specific dynamics for the dissociative chemisorption of H2O on Cu(111) is first investigated by seven-dimensional quantum dynamics calculations, based on an accurately fitted potential energy surface (PES) recently developed by neural network fitting to DFT energy points.

Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study

2016 ◽  
Vol 18 (38) ◽  
pp. 26358-26364 ◽  
Author(s):  
Tianhui Liu ◽  
Zhaojun Zhang ◽  
Jun Chen ◽  
Bina Fu ◽  
Dong H. Zhang
Keyword(s):  
Quantum Dynamics ◽  
Reaction Dynamics ◽  
Dissociative Chemisorption ◽  
Mode Specificity

The approximate 9D dissociation probabilities for HOD/Cu(111) are obtained to investigate the influence of the mode specificity on reaction dynamics.

THE NOTHING THAT REALLY IS!

2016 ◽  
Vol 12 (1) ◽  
pp. 4172-4177
Author(s):  
Abdul Malek
Keyword(s):  
Quantum Dynamics ◽  
Theoretical Physics ◽  
Historical Evolution ◽  
Proper Understanding ◽  
Physical Universe ◽  
Wave Particle Duality ◽  
Negative Effect ◽  
Materialist Interpretation

The denial of the existence of contradiction is at the root of all idealism in epistemology and the cause for alienations.  This alienation has become a hindrance for the understanding of the nature and the historical evolution mathematics itself and its role as an instrument in the enquiry of the physical universe (1). A dialectical materialist approach incorporating  the role of the contradiction of the unity of the opposites, chance and necessity etc., can provide a proper understanding of the historical evolution of mathematics and  may ameliorate  the negative effect of the alienation in modern theoretical physics and cosmology. The dialectical view also offers a more plausible materialist interpretation of the bewildering wave-particle duality in quantum dynamics (2).

Classical and Quantum Dynamics

1994 ◽  
Author(s):  
Walter Dittrich ◽  
Martin Reuter
Keyword(s):  
Quantum Dynamics

The Quantum Dynamics of an Excess Proton in Water.

1995 ◽  
Author(s):  
J. Lobaugh ◽  
Gregory A. Voth
Keyword(s):  
Quantum Dynamics

Quantum Resonances: Line Profiles and Dynamics

2003 ◽  
Vol 68 (3) ◽  
pp. 529-553 ◽  
Author(s):  
Ivana Paidarová ◽  
Philippe Durand
Keyword(s):  
Hydrogen Atom ◽  
Operator Theory ◽  
Quantum Dynamics ◽  
Line Profiles ◽  
Static Electric Field ◽  
Reversal Effect ◽  
Quantum Resonances ◽  
Energy Dependent ◽  
Effective Hamiltonians

The wave operator theory of quantum dynamics is reviewed and applied to the study of line profiles and to the determination of the dynamics of interacting resonances. Energy-dependent and energy-independent effective Hamiltonians are investigated. The q-reversal effect in spectroscopy is interpreted in terms of interfering Fano profiles. The dynamics of an hydrogen atom subjected to a strong static electric field is revisited.

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