A Time-Dependent-Density-Functional-Theory Study of Charge Transfer Processes of Li2+ Colliding with Ar in the MeV Region
-
Abstract
We study charge transfer of a multi-electron collision system Li2+ + Ar using the time-dependent density functional theory non-adiabatically coupled to the molecular dynamics. By implementing the particle number projection method, the single- and double-charge transfer cross sections are extracted at MeV energies, which are in good agreement with the experimental data available. The analysis of charge transfer probabilities shows that for energies higher than 1.0 MeV, the single-charge transfer occurs for a broader range of impact parameters, while the double-charge transfer is dominated by close collisions. To gain the population of captured electrons on the projectile, we compute the orbital projection probabilities. It is found that the electrons of the Ar atom will most possibly transfer to the 2p orbitals of the Li2+, and only a small portion of captured electrons distribute on the s orbitals. This work verifies the capability of the present methodology in dealing with charge transfer in dressed ion collisions at MeV energies. -
Acknowledgement: This work was financially supported by the National Key Research and Development Program of China (Grant No. 2017YFA0402300), and the National Natural Science Foundation of China (Grant Nos. 11774344, 11704039, and 12104019).
-
References
[1] Aumayr F, Ueda K, Sokell E, et al.. 2019 J. Phys. B 52 171003 doi: 10.1088/1361-6455/ab26ea[2] Covington C, Hartig K, Russakoff A, Kulpins R, Varga K 2017 Phys. Rev. A 95 052701 doi: 10.1103/PhysRevA.95.052701[3] Kirchner T, Gulyás L, Lüdde H, Henne A, Engel E, Dreizler R 1997 Phys. Rev. Lett. 79 1658 doi: 10.1103/PhysRevLett.79.1658[4] Ren X G, Wang E L, Skitnevskaya A D, Trofimov A B, Gokhberg K, Dorn A 2018 Nat. Phys. 14 1062 doi: 10.1038/s41567-018-0214-9[5] Gao J W, Wu Y, Wang J G, Dubois A, Sisourat N 2019 Phys. Rev. Lett. 122 093402 doi: 10.1103/PhysRevLett.122.093402[6] Zhu X L, Hu X Q, Yan S C, et al.. 2020 Nat. Commun. 11 2987 doi: 10.1038/s41467-020-16749-w[7] Wang K, Wang X X, Qu Y Z, Liu C H, Liu L, Wu Y, Buenker R J 2020 Chin. Phys. Lett. 37 023401 doi: 10.1088/0256-307X/37/2/023401[8] Chen S L, Zhou P P, Liang S Y, Sun W, Sun H Y, Huang Y, Guan H, Gao K L 2020 Chin. Phys. Lett. 37 073201 doi: 10.1088/0256-307X/37/7/073201[9] Wang X X, Wang K, Peng Y G, Liu C H, Liu L, Wu Y, Liebermann H P, Buenker R J, Qu Y Z 2021 Chin. Phys. Lett. 38 113401 doi: 10.1088/0256-307X/38/11/113401[10] Olson R E, Salop A 1977 Phys. Rev. A 16 531 doi: 10.1103/PhysRevA.16.531[11] McDowell M, Janev R 1985 J. Phys. B 18 L295 doi: 10.1088/0022-3700/18/10/007[12] Maynard G, Janev R, Katsonis K 1992 J. Phys. B 25 437 doi: 10.1088/0953-4075/25/2/012[13] Eckstein W, Bohdansky J, Roth J 1991 Nucl. Fusion: Spec. Suppl. IAEA 1 51[14] Lindsay B G, Stebbings R F 2005 J. Geophys. Res. 110 A12213 doi: 10.1029/2005JA011298[15] Pang S N, Wang F, Sun Y T, Mao F, Wang X L 2022 Phys. Rev. A 105 032803 doi: 10.1103/PhysRevA.105.032803[16] Baxter M, Kirchner T, Engel E 2017 Phys. Rev. A 96 032708 doi: 10.1103/PhysRevA.96.032708[17] Eichler J, Tsuji A, Ishihara T 1981 Phys. Rev. A 23 2833 doi: 10.1103/PhysRevA.23.2833[18] Gulyás L, Fainstein P D, Shirai T 2002 Phys. Rev. A 65 052720 doi: 10.1103/PhysRevA.65.052720[19] Calvayrac F, Reinhard P G, Suraud E, Ullrich C 2000 Phys. Rep. 337 493 doi: 10.1016/S0370-15730000043-0[20] Wang F, Hong X, Wang J, Kim K S 2011 J. Chem. Phys. 134 154308 doi: 10.1063/1.3581820[21] Castro A, Isla M, Martínez J I, Alonso J A 2012 Chem. Phys. 399 130 doi: 10.1016/j.chemphys.2011.07.005[22] Bubin S, Wang B, Pantelides S, Varga K 2012 Phys. Rev. B 85 235435 doi: 10.1103/PhysRevB.85.235435[23] Gao C Z, Wang J, Wang F, Zhang F S 2014 J. Chem. Phys. 140 054308 doi: 10.1063/1.4863635[24] Ullah R, Artacho E, Correa A A 2018 Phys. Rev. Lett. 121 116401 doi: 10.1103/PhysRevLett.121.116401[25] Yu W D, Gao C Z, Sato S A, Castro A, Rubio A, Wei B R 2021 Phys. Rev. A 103 032816 doi: 10.1103/PhysRevA.103.032816[26] Simenel C 2010 Phys. Rev. Lett. 105 192701 doi: 10.1103/PhysRevLett.105.192701[27] Sekizawa K, Yabana K 2013 Phys. Rev. C 88 014614 doi: 10.1103/PhysRevC.88.014614[28] Vignale G 1995 Phys. Rev. Lett. 74 3233 doi: 10.1103/PhysRevLett.74.3233[29] Bates D R, McCarroll R 1958 Proc. R. Soc. Lond. A 245 175 doi: 10.1098/rspa.1958.0075[30] Tancogne-Dejean N, Oliveira M J, Andrade X, et al.. 2020 J. Chem. Phys. 152 124119 doi: 10.1063/1.5142502[31] Schlipf M, Gygi F 2015 Comput. Phys. Commun. 196 36 doi: 10.1016/j.cpc.2015.05.011[32] Perdew J P 1986 Phys. Rev. B 33 8822 doi: 10.1103/PhysRevB.33.8822[33] Gómez P A, Marques M A, Rubio A, Castro A 2018 J. Chem. Theory Comput. 14 3040 doi: 10.1021/acs.jctc.8b00197[34] Manolopoulos D E 2002 J. Chem. Phys. 117 9552 doi: 10.1063/1.1517042[35] Ludde H, Dreizler R 1983 J. Phys. B 16 3973 doi: 10.1088/0022-3700/16/21/017[36] Bender M, Heenen P H, Reinhard P G 2003 Rev. Mod. Phys. 75 121 doi: 10.1103/RevModPhys.75.121[37] Losqui A, Zappa F, Sigaud G, Wolff W, Sant′Anna M, Santos A, Luna H, Melo W 2014 J. Phys. B 47 045202 doi: 10.1088/0953-4075/47/4/045202[38] Dmitriev I S, Teplova Y A, Belkova Y A, Novikov N V, Fainberg Y A 2010 At. Data Nucl. Data Tables 96 85 doi: 10.1016/j.adt.2009.09.003[39] Imai T W, Kimura M, Gu J P, Hirsch G, Buenker R J, Wang J G, Stancil P C, Pichl L 2003 Phys. Rev. A 68 012716 doi: 10.1103/PhysRevA.68.012716[40] Quashie E E, Saha B C, Andrade X, Correa A A 2017 Phys. Rev. A 95 042517 doi: 10.1103/PhysRevA.95.042517[41] Yu W, Zhang Y, Zhang F S, Hutton R, Zou Y, Gao C Z, Wei B 2018 J. Phys. B 51 035204 doi: 10.1088/1361-6455/aa9df1
DownLoad: