$ {\text{REB}}_n^ - $ (RE = La, Sc; n = 6, 8) 的几何及电子结构" /> $ {\text{REB}}_n^ - $ (RE = La, Sc; n = 6, 8) 的几何及电子结构" />
[1] 张超江, 许洪光, 徐西玲, 郑卫军 2021 物理学报 70 023601 doi: 10.7498/aps.70.20201351 Zhang C J, Xu H G, Xu X L, Zheng W J 2021 Acta Phys. Sin. 70 023601 doi: 10.7498/aps.70.20201351
[2] Boustani I 1997 Phys. Rev. B 5 16426
[3] Kiran B, Bulusu S, Zhai H J, Yoo S, Zeng X C, Wang L S 2005 Proc. Natl. Acad. Sci. 102 961 doi: 10.1073/pnas.0408132102
[4] 李世雄, 张正平, 隆正文, 秦水介 2017 物理学报 6 103102 doi: 10.7498/aps.66.103102 Li S X, Zhang Z P, Long Z W, Qin S J 2017 Acta Phys. Sin. 6 103102 doi: 10.7498/aps.66.103102
[5] Sergeeva A P, Popov I A, Piazza Z A, Li W L, Romanescu C, Wang L S, Boldyrev A I 2014 Acc. Chem. Res. 47 1349 doi: 10.1021/ar400310g
[6] Jian T, Chen X, Li S D, Boldyrev A I, Li J, Wang L S 2019 Chem. Soc. Rev. 48 3550 doi: 10.1039/C9CS00233B
[7] Wang L S 2016 Int. Rev. Phys. Chem. 35 69 doi: 10.1080/0144235X.2016.1147816
[8] Bai H, Chen T T, Chen Q, Zhao X Y, Zhang Y Y, Chen W J, Li W L, Cheng L F, Bai B, Cavanagh J, Huang W, Li S D, Li J, Wang L S 2019 Nanoscale 11 23286 doi: 10.1039/C9NR09522E
[9] 刘立仁, 雷雪玲, 陈杭, 祝恒江 2009 物理学报 58 5355 doi: 10.7498/aps.58.5355 Liu L R, Lei X L, Chen H, Zhu H J 2009 Acta Phys. Sin. 58 5355 doi: 10.7498/aps.58.5355
[10] Pham H T, Duong L V, Pham B Q, Nguyen M T 2013 Chem. Phys. Lett. 577 32 doi: 10.1016/j.cplett.2013.05.041
[11] Zhai H J, Alexandrova A N, Birch K A, Boldyrev A I, Wang L S 2003 Angew. Chem. Int. Ed. 42 6004 doi: 10.1002/anie.200351874
[12] Zhai H J, Zhao Y F, Li W L, Chen Q, Bai H, Hu H S, Piazza Z A, Tian W J, Lu H G, Wu Y B, Mu Y W, Wei G F, Liu Z P, Li J, Li S D, Wang L S 2014 Nature Chem. 6 727 doi: 10.1038/nchem.1999
[13] Islas R, Heine T, Ito K, Schleyer P V, Merino G 2007 J. Am. Chem. Soc. 129 14767 doi: 10.1021/ja074956m
[14] Romanescu C, Galeev T R, Li W L, Boldyrev A I, Wang L S 2013 Acc. Chem. Res. 46 350 doi: 10.1021/ar300149a
[15] Saha R, Kar S, Pan S, Martínez-Guajardo G, Merino G, Chattaraj P K 2017 J. Phys. Chem. A 121 2971 doi: 10.1021/acs.jpca.6b12232
[16] 李世雄, 陈德良, 张正平, 隆正文 2020 物理学报 69 193101 doi: 10.7498/aps.69.20200756 Li S X, Chen D L, Zhang Z P, Long Z W 2020 Acta Phys. Sin. 69 193101 doi: 10.7498/aps.69.20200756
[17] Li H F, Wang H Q, Zhang J M, Qin L X, Zheng H, Zhang Y H 2024 Molecules 29 1692 doi: 10.3390/molecules29081692
[18] 蒋贤明, 王怀谦, 曹宇, 孙之惠, 曹玉芳, 吴伟宾 2018 高等学校化学学报 39 1976 doi: 10.7503/cjcu20180218 Jiang X M, Wang H Q, Cao Y, Sun Z H, Cao Y F, Wu W B 2018 Chemical Journal of Chinese Universities 39 1976 doi: 10.7503/cjcu20180218
[19] Zheng H, Wang H Q, Li H F, Zhang J M, Zhang Y H, Qin L X, Mei X J, Jiang K L, Zeng J K, Zhang B, Wu W H 2024 Chem. Phys. 583 112321 doi: 10.1016/j.chemphys.2024.112321
[20] Wen S H, Zhou J J, Zheng K Z, Bednarkiewicz A, Liu X G, Jin D Y 2018 Nat. Commun. 9 2415 doi: 10.1038/s41467-018-04813-5
[21] Jiang L Y, Wang H Q, Li H F, Xie B, Zhang J M, Ji J Y 2023 Chem. Phys. 567 111819 doi: 10.1016/j.chemphys.2023.111819
[22] Wang H Q, Li H F 2014 RSC Adv. 4 29782 doi: 10.1039/C4RA03788J
[23] Yi Z G, Luo Z C, Qin X, Chen Q S, Liu X G 2020 Acc. Chem. Res. 53 2692 doi: 10.1021/acs.accounts.0c00513
[24] Qin L X, Li H F, Xiao B W, Zhang J M, Zeng J K, Mei X J, Zhang Y H, Zheng H, Wang H Q 2023 Chem. Phys. 575 112064 doi: 10.1016/j.chemphys.2023.112064
[25] Li W L, Chen T T, Xing D H, Chen X, Li J, Wang L S 2018 Proc. Natl. Acad. Sci. 115 E6972
[26] Robinson P J, Zhang X X, McQueen T, Bowen K H, Alexandrova A N 2017 J. Phys. Chem. A 121 1849 doi: 10.1021/acs.jpca.7b00247
[27] Chen T T, Li W L, Li J, Wang L S 2019 Chem. Sci. 10 2534 doi: 10.1039/C8SC05443F
[28] Zuo J N, Zhang L L, Chen B L, He K H, Dai W, Ding K W, Lu C 2024 J. Phys. Condens. Matter 36 015302 doi: 10.1088/1361-648X/acfc0c
[29] Xiang Z Y, Luo Z J, Bi J, Jin S Y, Zhang Z Q, Lu C 2022 J. Phys. Condens. Matter 34 445302 doi: 10.1088/1361-648X/ac8b4f
[30] Jin S Y, Sun W G, Chen B L, Kuang X Y, Lu H Y, Lu C 2021 J. Phys. Chem. A 125 4126 doi: 10.1021/acs.jpca.1c02148
[31] Lu C, Gong W, Li Q, Chen C 2020 J. Phys. Chem. Lett. 11 9165 doi: 10.1021/acs.jpclett.0c02656
[32] Li W L, Chen T T, Chen W J, Li J, Wang L S, 2021 Nat. Commun. 12 6467 doi: 10.1038/s41467-021-26785-9
[33] Zhang J, Dolg M 2015 Phys. Chem. Chem. Phys. 17 24173 doi: 10.1039/C5CP04060D
[34] Frisch M J, Trucks G W, Schlegel H B, et al. 2016 Gaussian 09 (Revision Ed. 01) (Wallingford, CT: Gaussian, Inc.
[35] Lu T, Chen F W 2012 J. Comput. Chem. 33 580 doi: 10.1002/jcc.22885
[36] Humphrey W, Dalke A, Schulten K 1996 J. Mol. Graph. 14 33 doi: 10.1016/0263-7855(96)00018-5
[37] Dolg M, Stoll H, Savin A, Preuss H 1989 Theor. Chim. Acta. 75 173 doi: 10.1007/BF00528565
[38] Peterson A, Kirk F, Detlev G, Erich S H, Michael D 2003 J. Chem. Phys. 119 11113 doi: 10.1063/1.1622924
[39] Binkley, Stephen J, Pople, John A, Hehre, Warren J 1980 J. Am. Chem. Soc. 102 939 doi: 10.1021/ja00523a008
[40] Adamo C, Barone V 1999 J. Chem. Phys. 110 6158 doi: 10.1063/1.478522
[41] Wadt W R, Hay P J 1985 J. Chem. Phys. 82 284 doi: 10.1063/1.448800
[42] Krishnan R, Binkley J S, Seeger R, Pople J A 1980 J. Chem. Phys. 72 650 doi: 10.1063/1.438955
[43] Tozer D J, Handy N C 1998 J. Chem. Phys. 109 10180 doi: 10.1063/1.477711
[44] Alexandrova A N, Boldyrev A I, Zhai H J, Wang L S, Steiner E, Fowler P W 2003 J. Phys. Chem. A 107 1362