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  1. Article ; Online: Generalized oscillator strengths of the low-lying valence-shell excitations of N

    Liu, Ya-Wei / Peng, Yi-Geng / Xiong, Tao / Wang, Shu-Xing / Huang, Xin-Chao / Wu, Yong / Zhu, Lin-Fan

    The Journal of chemical physics

    2019  Volume 150, Issue 9, Page(s) 94302

    Abstract: The generalized oscillator strengths of the low-lying valence-shell excitations of ... ...

    Abstract The generalized oscillator strengths of the low-lying valence-shell excitations of N
    Language English
    Publishing date 2019-02-20
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.5087603
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

    Z 4' 49/16: Show issues

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  2. Article ; Online: Heavy N

    Zhu, XiaoLong / Hu, XiaoQing / Yan, ShunCheng / Peng, YiGeng / Feng, WenTian / Guo, DaLong / Gao, Yong / Zhang, ShaoFeng / Cassimi, Amine / Xu, JiaWei / Zhao, DongMei / Dong, DaPu / Hai, Bang / Wu, Yong / Wang, JianGuo / Ma, X

    Nature communications

    2020  Volume 11, Issue 1, Page(s) 2987

    Abstract: Van der Waals clusters are weakly bound atomic/molecular systems and are an important medium for understanding micro-environmental chemical phenomena in bio-systems. The presence of neighboring atoms may open channels otherwise forbidden in isolated ... ...

    Abstract Van der Waals clusters are weakly bound atomic/molecular systems and are an important medium for understanding micro-environmental chemical phenomena in bio-systems. The presence of neighboring atoms may open channels otherwise forbidden in isolated atoms/molecules. In hydrogen-bond clusters, proton transfer plays a crucial role, which involves mass and charge migration over large distances within the cluster and results in its fragmentation. Here we report an exotic transfer channel involving a heavy N
    Language English
    Publishing date 2020-06-12
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-020-16749-w
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Complex multireference configuration interaction calculations for the K-vacancy Auger states of N(q+) (q = 2-5) ions.

    Peng, Yi-Geng / Wu, Yong / Zhu, Lin-Fan / Zhang, Song Bin / Wang, Jian-Guo / Liebermann, H-P / Buenker, R J

    The Journal of chemical physics

    2016  Volume 144, Issue 5, Page(s) 54306

    Abstract: K-vacancy Auger states of N(q+) (q = 2-5) ions are studied by using the complex multireference single- and double-excitation configuration interaction (CMRD-CI) method. The calculated resonance parameters are in good agreement with the available ... ...

    Abstract K-vacancy Auger states of N(q+) (q = 2-5) ions are studied by using the complex multireference single- and double-excitation configuration interaction (CMRD-CI) method. The calculated resonance parameters are in good agreement with the available experimental and theoretical data. It shows that the resonance positions and widths converge quickly with the increase of the atomic basis sets in the CMRD-CI calculations; the standard atomic basis set can be employed to describe the atomic K-vacancy Auger states well. The strong correlations between the valence and core electrons play important roles in accurately determining those resonance parameters, Rydberg electrons contribute negligibly in the calculations. Note that it is the first time that the complex scaling method has been successfully applied for the B-like nitrogen. CMRD-CI is readily extended to treat the resonance states of molecules in the near future.
    Language English
    Publishing date 2016-02-07
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.4940733
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Bonn / Germany

    Z 4' 49/16: Show issues

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

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