Cargando…

Accurate Adiabatic and Diabatic Potential Energy Surfaces for the Reaction of He + H(2)

The accurate adiabatic and diabatic potential energy surfaces, which are for the two lowest states of He + H(2), are presented in this study. The Molpro 2012 software package is used, and the large basis sets (aug-cc-pV5Z) are selected. The high-level MCSCF/MRCI method is employed to calculate the a...

Descripción completa

Detalles Bibliográficos
Autores principales:	Cao, Jing, Gao, Nan, Bai, Yuxuan, Wang, Dequan, Wang, Ming, Shi, Shaokang, Yang, Xinyu, Huang, Xuri
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Hindawi 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9225863/ https://www.ncbi.nlm.nih.gov/pubmed/35757471 http://dx.doi.org/10.1155/2022/7552881

Ejemplares similares

Global accurate diabatic potential surfaces for the reaction H + Li(2)
por: Yin, Ruilin, et al.
Publicado: (2020)

Accurate potential energy surfaces for the first two lowest electronic states of the Li (2p) + H(2) reaction
por: Fu, Liwei, et al.
Publicado: (2018)

Fingerprints of Adiabatic versus Diabatic Vibronic Dynamics in the Asymmetry of Photoelectron Momentum Distributions
por: Falge, Mirjam, et al.
Publicado: (2012)

An ab initio study of the rovibronic spectrum of sulphur monoxide (SO): diabatic vs. adiabatic representation
por: Brady, R. P., et al.
Publicado: (2022)

Diabatic and adiabatic transitions between Floquet states imprinted in coherent exciton emission in monolayer WSe(2)
por: Uchida, Kento, et al.
Publicado: (2022)

Nonadiabatic dynamics studies of the H((2)S) + RbH(X(1)Σ(+)) reaction: based on new diabatic potential energy surfaces
por: Zhang, Yong, et al.
Publicado: (2022)

New diabatic potential energy surfaces of the NaH(2) system and dynamics studies for the Na(3p) + H(2) → NaH + H reaction
por: Wang, Shufen, et al.
Publicado: (2018)

Aspects of diabatic single-particle motion in heavy-ion reactions
por: Cassing, W, et al.
Publicado: (1982)

Dissipative diabatic dynamics
por: Nörenberg, W
Publicado: (1982)

Non-adiabatic Quantum Dynamics of the Dissociative Charge Transfer He(+)+H(2) → He+H+H(+)
por: De Fazio, Dario, et al.
Publicado: (2019)

The Reaction Mechanism Study for the F(3) System
por: Wang, Dequan, et al.
Publicado: (2022)

An accurate ground state potential surface for the scattering reaction F(−) + F(2)(v,j) → F(2)(v′,j′) + F(−)
por: Wang, Dequan, et al.
Publicado: (2019)

Nucleonic Landau-Zener transitions in heavy-ion reactions with diabatic bases
por: Misono, S, et al.
Publicado: (1997)

Global diabatic potential energy surfaces for the BeH(2)(+) system and dynamics studies on the Be(+)((2)P) + H(2)(X(1)Σ(g)(+)) → BeH(+)(X(1)Σ(+)) + H((2)S) reaction
por: Yang, Zijiang, et al.
Publicado: (2018)

Global diabatic potential energy surfaces and quantum dynamical studies for the Li(2p) + H(2)(X(1)Σ(+)(g)) → LiH(X(1)Σ(+)) + H reaction
por: He, Di, et al.
Publicado: (2016)

Density of Avoided Crossings and Diabatic Representation
por: Obzhirov, Anatoly E., et al.
Publicado: (2023)

Correction: Global diabatic potential energy surfaces for the BeH(2)(+) system and dynamics studies on the Be(+)((2)P) + H(2)(X(1)Σ(g)(+)) → BeH(+)(X(1)Σ(+)) + H((2)S) reaction
por: Yang, Zijiang, et al.
Publicado: (2018)

Accurate Potential Energy Surfaces for the Three Lowest Electronic States of N((2)D) + H(2)(X(1)∑(g)(+)) Scattering Reaction
por: Wang, Dequan, et al.
Publicado: (2019)

Influence of rovibrational excitation on the non-diabatic state-to-state dynamics for the Li(2p) + H(2) → LiH + H reaction
por: He, Di, et al.
Publicado: (2017)

Diabatic heating governs the seasonality of the Atlantic Niño
por: Nnamchi, Hyacinth C., et al.
Publicado: (2021)

Greedy parameter optimization for diabatic quantum annealing
por: Kadowaki, Tadashi, et al.
Publicado: (2023)

Forcing Convection to Aggregate Using Diabatic Heating Perturbations
por: Dingley, Beth, et al.
Publicado: (2021)

Diabatic dynamical approach to large amplitude collective nuclear motion
por: Cassing, W, et al.
Publicado: (1981)

Robust Diabatic Grover Search by Landau–Zener–Stückelberg Oscillations
por: Atia, Yosi, et al.
Publicado: (2019)

An Extended Adiabatic Approach for Nuclear Reactions
por: Mustafa, Y, et al.
Publicado: (1998)

An Extended Adiabatic Approach for Nuclear Reactions
por: Mustafa, Y, et al.
Publicado: (1998)

Reversibility and energy dissipation in adiabatic superconductor logic
por: Takeuchi, Naoki, et al.
Publicado: (2017)

Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S(1) ← S(0) Transitions
por: Robinson, David, et al.
Publicado: (2021)

Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization
por: Fdez. Galván, Ignacio, et al.
Publicado: (2023)

Hamiltonian transformability, fast adiabatic dynamics and hidden adiabaticity
por: Wu, Lian-Ao, et al.
Publicado: (2021)

Study of the $^{4}$He(p,2p)$^{3}$H reaction at intermediate energies
por: Van Oers, W T H, et al.
Publicado: (1981)

Adiabatic trapping
Publicado: (1970)

An adiabatic focuser
por: Chen, P, et al.
Publicado: (1990)

Adiabatic hydrodynamization
por: Brewer, Jasmine Therese
Publicado: (2021)

Counter-diabatic driving for fast spin control in a two-electron double quantum dot
por: Ban, Yue, et al.
Publicado: (2014)

Energy distributions and yields of 3H, 4He and 6He-particles emitted in the 245Cm(n_th,f) reaction
por: Serot, O, et al.
Publicado: (2001)

Ab initio adiabatic study of the AgH system
por: Alrebdi, Tahani A., et al.
Publicado: (2021)

Production of $^{2}H, ^{3}H, ^{3}He$ and $^{4}He isotopes in p + $^{12}C$ reactions at a proton energy of 600 MeV
por: Bogatin, V I, et al.
Publicado: (1974)

Laser propulsion of nanobullets by adiabatic compression of surface plasmon polaritons
por: Folli, Viola, et al.
Publicado: (2015)

Saturation of deposition energy in relativistic $^{3}He$-induced reactions
por: Morley, K B, et al.
Publicado: (1995)

Cannot write session to /tmp/vufind_sessions/sess_mi24eun4gtq5lf0atfn5u6r8fl