Accurate Time‐Dependent Wave Packet Calculation for the Si(1D) + H2(X1Σg+) → H(2S) + SiH(X2П) Reaction
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DOI: 10.1002/qua.70110
Abstract: Using the time‐dependent wave packet method, the reaction channels of Si(1D) + H2(X1Σg+) (v0 = 0–4, j0 = 0–8) → H(2S) + SiH(X2П) were investigated on an accurate global potential energy surface of SiH2(12A′) in the collision energy range of 0.1–2.1 eV. Quantum dynamics calculations reveal… read more here.
Keywords: reaction; wave packet; time dependent; dependent wave ... See more keywords
Vibrational and rotational excitation studies of the reaction Au+ + H2 → AuH+ + H using the time-dependent wave packet approach
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DOI: 10.1016/j.comptc.2018.06.015
Abstract: Abstract State-to-state dynamics calculations of the reaction Au+ + H2 with the initial states (v, j) = (0, 0), (0, 1), and (1, 0) were performed using the time-dependent wave packet method in the collision energy range from 2.0… read more here.
Keywords: wave packet; using time; dependent wave; time dependent ... See more keywords
Influence of the microstructure on stress-dependent P-wave anisotropy in sandstone
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DOI: 10.1093/gji/ggab383
Abstract: To understand the factors that affect the stress-dependent P-wave velocity anisotropy, a method is proposed to simulate anisotropic microcracks and minerals based on the discrete element method (DEM). Laboratory triaxial tests and numerical simulations were… read more here.
Keywords: stress dependent; wave anisotropy; dependent wave; anisotropy ... See more keywords