Correction to “Visualizing Stereodynamics in Cold Collisions through Shape Resonance Wavefunctions”

IF 4.6 2区 化学 Q2 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry Letters Pub Date : 2025-04-18 DOI:10.1021/acs.jpclett.5c01029
Yilang Liu, Dongzheng Yang, Hua Guo, Daiqian Xie
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Abstract

Two mistakes have recently been identified in the original paper, (1) which lead to some changes in the calculation results. First, the initial rotational state of the aligned H2 molecule in eq 2 was defined with the order of subscripts m1 and 0 reversed in the reduced Wigner rotation matrix elements dm1,0j1(β). The correct eq 2 should read The second mistake is concerned with the azimuthal angle dependence (2,3) of the scattering amplitude and differential cross section (DCS) in eqs 1 and 3, which was neglected in the original publication. The azimuthal angle (ϕ) is depicted in Figure S1 of the Supporting Information. The correct eqs 1 and 3 should read respectively Figure 1. Integral cross sections for para-H2 (v1 = 1, j1 = 2) + HF (v2 = 0, j2 = 0) → para-H2 (v′1 = 1, j′1 = 0) + HF (v′2 = 0, j′2 = 3). (a) Partial wave resolved ICSs. (b) ICSs for different initially aligned H2. Figure S3. Integral cross sections for the collisional process para-H2 (v1 = 1, j1 = 2) + HF (v2 = 0, j2 = 0) → para-H2 (v′1 = 1, j′1 = 0) + HF (v′2 = 0, j′2 = 0, 1, 2). Left panels: Partial wave resolved ICSs. Right panels: ICSs for different initially aligned H2. These errors did not change the scientific conclusions in the original paper. This article references 4 other publications. This article has not yet been cited by other publications.

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对“通过形状共振波函数可视化冷碰撞中的立体动力学”的修正
最近在原论文中发现了两个错误,(1)导致计算结果发生了一些变化。首先,通过在维格纳旋转矩阵元素dm1,0j1(β)中颠倒下标m1和0的顺序来定义eq 2中排列的H2分子的初始旋转状态。第二个错误与公式1和3中散射振幅和微分截面(DCS)的方位角依赖性(2,3)有关,这在原始出版物中被忽略了。方位角(ϕ)在支撑信息的图S1中描述。正确的等式1和3应该分别为图1。para-H2 (v1 = 1, j1 = 2) + HF (v2 = 0, j2 = 0)→para-H2 (v ' 1 = 1, j ' 1 = 0) + HF (v ' 2 = 0, j ' 2 = 3)的积分截面。(a)部分波分辨ICSs。(b)不同初始对准H2的ICSs。图S3。碰撞过程para-H2 (v1 = 1, j1 = 2) + HF (v2 = 0, j2 = 0)→para-H2 (v ' 1 = 1, j ' 1 = 0) + HF (v ' 2 = 0, j ' 2 = 0,1,2)的积分截面。左图:部分波解析的ICSs。右面板:用于不同初始对齐H2的ics。这些错误并没有改变原论文中的科学结论。本文引用了其他4篇出版物。这篇文章尚未被其他出版物引用。
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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
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