Multi-Electron Transfer of Ar$^{+}$ Colliding with Ne Atoms Based on a Time-Dependent Density-Functional Theory

doi:10.1088/0256-307X/38/6/063101

Chin. Phys. Lett.

2021, Vol. 38

Issue (6): 063101 DOI: 10.1088/0256-307X/38/6/063101

ATOMIC AND MOLECULAR PHYSICS

Multi-Electron Transfer of Ar$^{+}$ Colliding with Ne Atoms Based on a Time-Dependent Density-Functional Theory

Shuai Qin¹, Cong-Zhang Gao², Wandong Yu^3*, and Yi-Zhi Qu^1*

¹School of Optoelectronics, University of Chinese Academy of Sciences, Beijing 100049, China
²Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
³State Key Laboratory for Mesoscopic Physics and Frontiers Science Center for Nano-optoelectronics, School of Physics, Peking University, Beijing 100871, China

Cite this article:

Shuai Qin, Cong-Zhang Gao, Wandong Yu et al 2021 Chin. Phys. Lett. 38 063101

Download: PDF(814KB) PDF(mobile)(831KB) HTML
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks

Abstract The multi-electron capture and loss cross-sections of Ar$^{+}$–Ne collisions are calculated at absolute energies in the few-keV/a.u. regime. The calculations are performed using a novel inverse collision framework, in the context of a time-dependent density functional theory, combined with molecular dynamics. The extraction of the capture and loss probabilities is based on the particle-number projection technique, originating from nuclear physics, but validly extended to represent many-electron systems. Good agreement between experimental and theoretical data is found, which clearly reveals the non-negligible post-collision decay of the projectile's electrons, providing further evidence for the applicability of the approach to complex many-electron collision systems.

Received: 10 February 2021 Published: 25 May 2021

PACS:	31.15.ee	(Time-dependent density functional theory)
	31.15.A-	(Ab initio calculations)
	34.70.+e	(Charge transfer)
	34.80.Dp	(Atomic excitation and ionization)

Fund: 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, 11774030, and 11704037).

TRENDMD:

URL:

https://cpl.iphy.ac.cn/10.1088/0256-307X/38/6/063101 OR https://cpl.iphy.ac.cn/Y2021/V38/I6/063101

Service
	E-mail this article
	E-mail Alert
	RSS
Articles by authors
	Shuai Qin
	Cong-Zhang Gao
	Wandong Yu
	and Yi-Zhi Qu

[1]	Aumayr F, Ueda K, Sokell E, Schippers S, Sadeghpour H, Merkt F D R, Gallagher T F, Dunning F B, Scheier P, Echt O, Kirchner T, Fritzsche S, Surzhykov A, Ma X, Rivarola R, Fojon O, Tribedi L, Lamour E, Crespo L U J R, Litvinov Y A, Shabaev V, Cederquist H, Zettergren H, Schleberger M, Wilhelm R A, Azuma T, Boduch P, Schmidt H T, and Stöhlker T 2019 J. Phys. B 52 171003
[2]	Tolstikhina I, Imai M, Winckler N, and Shevelko V 2018 Basic Atomic Interactions of Accelerated Heavy Ions in Matter (Springer Series on Atomic, Optical and Plasma Physics) (Berlin: Springer)
[3]	Isler R C 1994 Plasma Phys. Control. Fusion 36 171
[4]	Niemann H B, Atreya S K, Bauer S J, Carignan G R, Demick J E, Frost R L, Gautier D, Haberman J A, Harpold D N, Hunten D M, Israel G, Lunine J I, Kasprzak W T, Owen T C, Paulkovich M, Raulin F, Raaen E, and Way S H 2005 Nature 438 779
[5]	Lisse C M, Dennerl K, Englhauser J, Harden M, Marshall F E, Mumma M J, Petre R, Pye J P, Ricketts M J, Schmitt J, TrCumper J, and West R G 1996 Science 274 205
[6]	Liang G Y, Peng Y G, Li R, Wu Y, and Wang J G 2020 Chin. Phys. Lett. 37 123101
[7]	Amaldi U and Kraft G 2005 Rep. Prog. Phys. 68 1861
[8]	Matthew B, Tom K, and Engel E 2017 Phys. Rev. A 96 032708
[9]	Ullrich J, Moshammer R, Dörner R, Jagutzki O, Mergel V, Böcking H S, and Spielberger L 1997 J. Phys. B 30 2917
[10]	Ermolaev A M 1990 Phys. Lett. A 149 151
[11]	Toshima N 1993 Phys. Lett. A 175 133
[12]	Kirchner T, Gulyás L, Lüdde H J, Henne A, Engel E, and Dreizler R M 1997 Phys. Rev. Lett. 79 1658
[13]	Lüde HJ, Horbatsch M, Henne A, and Dreizler R M 1990 Phys. Lett. A 145 173
[14]	Fainstein P D, Ponce V H, and Rivarola R D 1988 J. Phys. B 21 287
[15]	Schenk G and Kirchner T 2015 Phys. Rev. A 91 052712
[16]	Kirchner T and Horbatsch M 2001 Phys. Rev. A 63 062718
[17]	Kirchner T, Horbatsch M, and Lüdde H J 2004 J. Phys. B 37 2379
[18]	Fritsch W and Lin C D 1991 Phys. Rep. 202 1
[19]	Zapukhlyak M, Kirchner T, Lüdde H J, Knoop S, Morgenstern R, and Hoekstra R 2005 J. Phys. B 38 2353
[20]	Imai T W, Kimura M, Gu J P, Hirsch G, Buenker R J, Wang J G, Stancil P C, and Pichl L 2003 Phys. Rev. A 68 012716
[21]	Wang K, Wang X X, Qu Y Z, Liu C H, Liu L, Wu Y, and Buenker R J 2020 Chin. Phys. Lett. 37 023401
[22]	Gao J W, Wu Y, Wang J G, Sisourat N, and Dubois A 2018 Phys. Rev. A 97 052709
[23]	Runge E and Gross E K U 1984 Phys. Rev. Lett. 52 997
[24]	Ullrich C A 2012 Time-Dependent Density-Functional Theory: Concepts and Applications (Oxford: Oxford University Press)
[25]	Wang F, Hong X, Wang J, and Kim K S 2011 J. Chem. Phys. 134 154308
[26]	Hong X, Wang F, Wu Y, Gou B, and Wang J 2016 Phys. Rev. A 93 062706
[27]	Bi G, Kang J, and Wang L W 2017 Phys. Chem. Chem. Phys. 19 9053
[28]	Wang Z P, Zhang F S, Xu X F, and Qian C Y 2020 Chin. Phys. B 29 023401
[29]	Thierry L, Katia C, Holtzman J, and Hubeny I 2008 Astrophys. J. 678 1342
[30]	Deutsch H, Becker K, Grum-Grzhimailo A N, Bartschat K, Summers H, Probst M, Matt-Leubner S, and Märk T D 2004 Int. J. Mass Spectrom. 233 39
[31]	Ton-That D and Flannery M R 1977 Phys. Rev. A 15 517
[32]	Zhu X M and Pu Y K 2010 J. Phys. D 43 403001
[33]	Pivovar L I, Novikov M T, and Dolgov A S 1966 Sov. Phys.-JETP 23 357
[34]	DuBois R D, Santos A C F, Olson R E, Stöhlker T, Bosch F, Bräuning-Demian A, Gumberidze A, Hagmann S, Kozhuharov C, Mann R, Muthig A O, Spillmann U, Tachenov S, Barth W, Dahl L, Franzke B, Glatz J, Gröning L, Richter S, Wilms D, Krämer A, Ullmann K, and Jagutzki O 2003 Phys. Rev. A 68 042701
[35]	Olson R E, Watson R L, Horvat V, and Zaharakis K E 2002 J. Phys. B 35 1893
[36]	Olson R E, Watson R L, Horvat V, Perumal A N, Peng Y, and Stöhlker T 2004 J. Phys. B 37 4539
[37]	Shevelko V P, Kato D, Litsarev M S, and Tawara H 2010 J. Phys. B 43 215202
[38]	Ullrich C A, Reinhard P G, and Suraud E 2000 Phys. Rev. A 62 053202
[39]	Calvayrac F, Reinhard P G, Suraud E, and Ullrich C A 2000 Phys. Rep. 337 493
[40]	Maitra N T 2016 J. Chem. Phys. 144 220901
[41]	Reinhard P G and Suraud E 2003 Introduction to Cluster Dynamics (New York: Wiley)
[42]	Andrade X, Alberdi-Rodriguez J, Strubbe D A, Oliveira M J, Nogueira F, Castro A, Muguerza J, Arruabarrena A, Louie S G, Aspuru-Guzik A, Rubio A, and Marques M A 2012 J. Phys.: Condens. Matter 24 233202
[43]	Tavernelli I, Gaigeot M P, Vuilleumier R, Stia C, Herve D P M A, and Politis M F 2008 ChemPhysChem 9 2099
[44]	Avendaño-Franco G, Piraux B, Grüning M, and Gonze X 2012 Theor. Chem. Acc. 131 1289
[45]	Yu W, Zhang Y, Zhang F S, Hutton R, Zou Y, Gao C Z, and Wei B 2018 J. Phys. B 51 035204
[46]	Yu W, Gao C Z, Zhang Y, Zhang F S, Hutton R, Zou Y, and Wei B 2018 Phys. Rev. A 97 032706
[47]	Yu W, Gao C Z, Jiang T, Zou Y, Wang J G, Wu Y, and Wei B 2019 J. Chem. Phys. 150 124304
[48]	Bates D R and McCarroll R 1958 Proc. R. Soc. London Ser. A 245 175
[49]	Vignale G 1995 Phys. Rev. Lett. 74 3233
[50]	Yu W, Gao C Z, Sato S A, Castro A, Rubio A, and Wei B 2021 Phys. Rev. A 103 032816
[51]	Castro A, Appel H, Oliveira M, Rozzi C A, Andrade X, Lorenzen F, Marques M A L, Gross E K U, and Rubio A 2006 Physica Status Solidi (b) 243 2465
[52]	Wang Z, Li S S, and Wang L W 2015 Phys. Rev. Lett. 114 063004
[53]	Marques M A L, Castro A, Bertsch G F, and Rubioa A 2003 Comput. Phys. Commun. 151 60
[54]	Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
[55]	Schlipf M and Gygi F 2015 Comput. Phys. Commun. 196 36
[56]	Gomez P A, Marques M A L, Rubio A, and Castro A 2018 J. Chem. Theory Comput. 14 3040
[57]	Castro A, Marques M A L, and Rubio A 2004 J. Chem. Phys. 121 3425
[58]	Kołakowska A, Pindzola M S, Robicheaux F, Schultz D R, and Wells J C 1998 Phys. Rev. A 58 2872
[59]	Wittkower A B and Gilbody H B 1967 Proc. Phys. Soc 90 353

Viewed

Full text

Abstract