[1] Liu W. J.J. Chem. Phys. 2024, 160, 084111. [2] Dyall K. G.; Fægri, K. Introduction to Relativistic Quantum Chemistry, Oxford University , New York,2007, Chapter III. [3] Douglas M.; Kroll N. M. Ann. Phys. 1974, 82, 89. [4] Liu W. J.; Peng D. J. Chem. Phys. 2006, 125, 044102. [5] Dolg M.; Cao X. Chem.Rev. 2012, 112, 403. [6] Bartlett R. J.; Musiał, M. Rev. Mod. Phys. 2007, 79, 291. [7] Wang F.; Gauss J.; van Wüllen, C. J. Chem. Phys. 2008, 129, 064113. [8] Tu Z.; Yang D. D.; Wang F.; Guo J. J. Chem. Phys. 2011, 135, 034115. [9] Yang D. D.; Wang F. Phys. Chem. Chem. Phys. 2012, 14, 15816. [10] Guo M. G.; Wang Z. F.; Wang F. Molecular Physics 2020, 118:19-20. [11] Cao Z. L.; Wang Z. F.; Yang M. L.; Wang F.Acta Phys. -Chim. Sin. 2014, 30(3), 431-438(in Chinese). (曹战利,王治钒,杨明理,王繁,物理化学学报,2014, 30(3), 431-438.) [12] Cao Z. L.; Wang F.; Yang M. L. Journal of Chemical Physics 2016, 145, 154110. [13] Wang Z. F.; Hu S.; Wang F.; Guo J. W. Journal of Chemical Physics 2015, 142, 144109. [14] Wang Z. F.; He B.; Lu Y. Z.; Wang F. Acta Chim Sinica 2022, 80, 1401—1409 (in Chinese). (王治钒,何冰,路艳朝,王繁,化学学报,2022, 80, 1401—1409.) [15] Liang Y. N.; Wang F.Acta Phys. -Chim. Sin. 2014, 30(8), 1447-1455(in Chinese). (梁艳妮,王繁,物理化学学报,2014, 30(8), 1447-1455.) [16] (a) Dolg, M. Chem. Phys. Lett. 1996, 250, 75. (b) Dolg, M. J. Chem. Phys. 1996, 104, 4061. [17] Fantin P. A.; Barbieri P. L.; Canal Neto, A.; Jorge, F. E. Journal of Molecular Structure: THEOCHEM. 2007, 810, 103-11. [18] Lehtola S.; Manninen P.; Hakala M.; Hämäläinen, K. J. Chem. Phys. 2013, 138, 044109. [19] Jakobsen P.; Jensen F. J. Chem. Phys. 2019, 151, 174107. [20] Jensen F.Theor Chem Acc. 2010, 126, 371-382. [21] Jensen, F. J. Chem. Theory Comput.2008, 4, 5, 719-727. [22] Ambroise M. A.; Jensen F.[J] Chem Theory Comput. 2019, 15(1):325-337. [23] Bross D. H.; Peterson K. A. Theor. Chem. Acc. 2014, 133, 1434. [24] Peterson K. A.J. Chem. Phys. 2015, 142, 074105. [25] Yannick J. F.; Lucas S.; Patrik P.; Florian W. J. Chem. Theory Comput. 2020, 16, 5658-5674. [26] Cheng L.; Gauss J. J. Chem. Phys. 2011, 135, 084114. [27] Cao Z. L.; Li Z. D.; Wang F.; Liu W. J. Physical Chemistry Chemical Physics, 2017, 19, 3713-3721. [28] Metz B.; Stoll H.; Dolg M. J. Chem. Phys., 2000, 113, 2563. [29] Figgen D.; Rauhut G.; Dolg M.; Stoll H. Chem.Phys., 2005, 311, 227. [30] Lu Y. Z.; Wang Z. F.; Wang F. J. Chem. Phys. 2023, 159, 244107. [31] Peterson K. A.; Dunning T. H. Jr. J. Chem.Phys. 2002, 117, 10548. [32] Weigend F.; Ahlrichs R. Phys. Chem. Chem. Phys., 2005, 7 , 3297-3305. [33] Armbruster M. K.; Klopper W.; Weigend F.Phys Chem Chem Phys. 2006, 8(42), 4862-5. [34] (a) Wang F; Gauss J. J. Chem. Phys. 2008, 129, 174110.(b) Wang, F; Gauss, J. J. Chem. Phys. 2009, 131, 164113. [35] Metz B.; Schweizer M.; Stoll H.; Dolg, M; Liu, W. J. Theor. Chem. Acc. 2000, 104, 22. [36] Peterson K. A.; Figgen D.; Goll E.; Stoll H.; Dolg M J. Chem. Phys., 2003, 119, 11113. [37] Peterson K. A.J. Chem. Phys. 2003, 119, 11099-11112. [38] Dunning T. H.J. Chem. Phys. 1989, 90, 1007-1023. [39] Weigend F.; Filipp F.; Reinhart A. J. Chem. Phys. 2003, 119, 12753-12762. [40] Peterson K. A.; Yousaf K. E.J. Chem. Phys. 2010, 133, 174116. [41] Liebman, J. F. J. Chem. Educ.1973, 50, 12, 831. [42] CFOUR, a quantum chemical program package written by Stanton, J. F.; Gauss, J.; Harding, M. E.; Szalay, P. G. with contributions from Auer, A. A.; Bartlett, R. J.; Benedikt, U.; Berger, C.; Bernholdt, D. E.; Bomble, Y. J.; Cheng, L.; Christiansen, O.; Heckert, M.; Heun, O.; Huber, C.; Jagau, T.-C.; Jonsson, D.; Juse´lius, J.; Klein, K.; Lauderdale, W. J.; Matthews, D. A.; Metzroth, T.; Mu¨ck, L. A.; O’Neill, D. P.; Price, D. R.; Prochnow, E.; Puzzarini, C.; Ruud, K.; Schiffmann, F.; Schwalbach, W.; Stopkowicz, S.; Tajti, A.; Va´zquez, J.; Wang, F.; Watts, J. D. and the integral packages MOLECULE (Almlo¨f, J. and Taylor, P. R.), PROPS (Taylor, P. R.), ABACUS (Helgake,r T.; Jensen, H. J. Aa.; Jørgensen, P. and Olsen, J.), and ECP routines by Mitin, A. V. and van Wu¨llen, C.. For the current version, see http://www.cfour.de. [43] Huber K. P.; Herzberg G.Molecular Spectra and Molecular Structure, Constants of Diatomic Molecules, Van Nostrand Rienhold, New York, 1979. [44] Sontag H.; Weber R. J. Mol. Spectrosc., 1982, 91, 72. [45] Effantin C.; Topouzkhanian A.; Figuet J.; d’Incan, J.; Barrow, R. F.; Verges, J. J. Phys. B 1982, 15, 3829. |