Quantum Wave Packet Treatment of Cold Nonadiabatic Reactive Scattering at the State-To-State Level

2021 ◽  
Author(s):  
Bayaer Buren ◽  
Maodu Chen ◽  
Zhigang Sun ◽  
Hua Guo
Keyword(s):  
Wave Packet ◽  
State Level ◽  
The State ◽  
Reactive Scattering ◽  
Quantum Wave

Theoretical investigations of the Au++H2 reactive scattering by the time-dependent quantum wave packet method

2017 ◽  
Vol 31 (06) ◽  
pp. 1750039 ◽  
Author(s):  
Wentao Lee ◽  
Haixiang He ◽  
Maodu Chen
Keyword(s):  
Wave Packet ◽  
Cross Sections ◽  
Collision Energy ◽  
Time Dependent ◽  
Reactive Scattering ◽  
Total Reaction ◽  
Theoretical Investigations ◽  
Classical Trajectories ◽  
Quantum Wave

Employing the state-to-state time-dependent quantum wave packet method, the Au[Formula: see text]H2 reactive scattering with initial states [Formula: see text], [Formula: see text] and 1 were investigated. Total reaction probabilities, product state-resolved integral cross-sections (ICSs) and differential cross-sections (DCSs) were calculated up to collision energy of 4.5 eV. The numerical results show that total reaction probabilities and ICSs increase with increasing collision energies, and there is little effect to the reactive scattering processes from the rotational excitation of H2 molecule. Below collision energy of around 3.0 eV, the role of the potential well in the entrance channel is significant and the reactive scattering proceeds dominantly by an indirect process, which leads to a nearly symmetric shape of the DCSs. With collision energy higher than 4.0 eV, the reactive scattering proceeds through a direct process, which leads to a forward biased DCSs, and also a hotter rotational distributions of the products. Total ICS agrees with the results by the quasi-classical trajectories theory very well, which suggests that the quantum effects in this reactive process are not obvious. However, the agreement between the experimental total cross-section and our theoretical result is not so good. This may be due to the uncertainty of the experiment or/and the inaccuracy of the potential energy surface.

Quantum wave packet study ofN(2D) +H2 reactive scattering

2005 ◽  
Vol 106 (4) ◽  
pp. 833-838 ◽  
Author(s):  
Fahrettin Gogtas ◽  
Niyazi Bulut
Keyword(s):  
Wave Packet ◽  
Reactive Scattering ◽  
Quantum Wave

The State-to-state dynamics of H+DH'(v=0, j=0)→HH'(v', j')+D/HD(v', j')+H' Reactions With Time-dependent Quantum Wave Packet Method

2021 ◽  
Author(s):  
Juan Zhao ◽  
Da-guang Yue ◽  
Lu-lu Zhang ◽  
Shang Gao ◽  
Zhong-bo Liu ◽  
...  
Keyword(s):  
Wave Packet ◽  
The State ◽  
Time Dependent ◽  
Quantum Wave

scholarly journals Time-dependent wave packet and quasiclassical trajectory study of the C(P3)+OH(X Π2)→CO(X Σ1+)+H(S2) reaction at the state-to-state level

2009 ◽  
Vol 130 (19) ◽  
pp. 194303 ◽  
Author(s):  
Niyazi Bulut ◽  
Alexandre Zanchet ◽  
Pascal Honvault ◽  
Béatrice Bussery-Honvault ◽  
Luis Bañares
Keyword(s):  
Wave Packet ◽  
State Level ◽  
The State ◽  
Time Dependent

Medicaid 101: A Primer for Speech-Language Pathologists in Education Settings

2011 ◽  
Vol 12 (1) ◽  
pp. 3-11
Author(s):  
Janet Deppe ◽  
Marie Ireland
Keyword(s):  
State Level ◽  
The State ◽  
Speech Language Pathologists ◽  
Inspector General ◽  
Medical Necessity ◽  
School Settings ◽  
Speech Language Pathologist ◽  
School Based ◽  
Emerging Trends

This paper will provide the school-based speech-language pathologist (SLP) with an overview of the federal requirements for Medicaid, including provider qualifications, “under the direction of” rule, medical necessity, and covered services. Billing, documentation, and reimbursement issues at the state level will be examined. A summary of the findings of the Office of Inspector General audits of state Medicaid plans is included as well as what SLPs need to do in order to ensure that services are delivered appropriately. Emerging trends and advocacy tools will complete the primer on Medicaid services in school settings.

Sign in / Sign up

Export Citation Format

Share Document