Communications: Adsorption of element 112 on the gold surface: Many-body wave function versus density functional theory

Journal of Chemical Physics

Volumn 132, Issue 8, 2010, Pages

  Zaitsevskii, Andŕi ^a,b   Van Wüllen, Christoph ^c   Titov, Anatoly V ^b  

^a KURCHATOV INSTITUTE   (Russian Federation)

^b PETERSBURG NUCLEAR PHYSICS INSTITUTE   (Russian Federation)

^c Rheinland Pfälzische Technische Universität Kaiserslautern Landau   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION COMPLEX; AU(111) SURFACES; BOND PROPERTIES; DECAY CHAINS; ELEMENT 112; EXPERIMENTAL DATA; GENERALIZED GRADIENTS; GOLD SURFACES; HYBRID EXCHANGE; MANY BODY WAVE FUNCTIONS; MANY-BODY CALCULATIONS; RELATIVISTIC DENSITY FUNCTIONAL THEORY; SIMPLE MODEL;

ADSORPTION; BINDING ENERGY; COMPLEXATION; GOLD METALLURGY; MERCURY (METAL);

DENSITY FUNCTIONAL THEORY;

EID: 77749318462     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3336403     Document Type: Article

References (25)

1. R. Eichler, N. V. Aksenov, A. V. Belozerov, G. A. Bozhikov, V. I. Chepigin, S. N. Dmitriev, R. Dressler, H. W. Gäggeler, V. A. Gorshkov, F. Haenssler, M. G. Itkis, A. Laube, V. Ya. Lebedev, O. N. Malyshev, Yu. Ts. Oganessian, O. V. Petrushkin, D. Piguet, P. Rasmussen, S. V. Shishkin, A. V. Shutov, A. I. Svirikhin, E. E. Tereshatov, G. K. Vostokin, M. Wegrzecki, and A. V. Yeremin, Nature (London) NATUAS 0028-0836 447, 72 (2007). 10.1038/nature05761 (Pubitemid 46685841)
2. R. Eichler, N. V. Aksenov, A. V. Belozerov, G. A. Bozhikov, V. I. Chepigin, S. N. Dmitriev, R. Dressler, H. W. Gäggeler, A. V. Gorshkov, M. G. Itkis, F. Haenssler, A. Laube, V. Ya. Lebedev, O. N. Malyshev, Yu. Ts. Oganessian, O. V. Petrushkin, D. Piguet, A. G. Popeko, P. Rasmussen, S. V. Shishkin, A. A. Serov, A. V. Shutov, A. I. Svirikhin, E. E. Tereshatov, G. K. Vostokin, M. Wegrzecki, and A. V. Yeremin, Angew. Chem., Int. Ed. ACIEF5 1433-7851 47, 3262 (2008). 10.1002/anie.200705019
3. V. Pershina, J. Anton, and T. Jacob, J. Chem. Phys. JCPSA6 0021-9606 131, 084713 (2009). 10.1063/1.3212449
4. A. V. Zaitsevskii, E. A. Rykova, and A. V. Titov, Russ. Chem. Rev. RCRVAB 0036-021X 77, 205 (2008). 10.1070/RC2008v077n03ABEH003773
5. E. A. Rykova, A. Zaitsevskii, N. S. Mosyagin, T. A. Isaev, and A. V. Titov, J. Chem. Phys. JCPSA6 0021-9606 125, 241102 (2006). 10.1063/1.2403850 (Pubitemid 46058258)
6. C. Sarpe-Tudoran, B. Fricke, J. Anton, and V. Persina, J. Chem. Phys. JCPSA6 0021-9606 126, 174702 (2007). 10.1063/1.2727447 (Pubitemid 46717797)
7. S. Soverna, R. Dressler, C. E. Düllmann, B. Eichler, R. Eichler, H. W. Gäggeler, F. Haenssler, J. -P. Niklaus, D. Piguet, Z. Qin, A. Türler, and A. B. Yakushev, Radiochim. Acta RAACAP 0033-8230 93, 1 (2005). 10.1524/ract.93.1.1.58298 (Pubitemid 40222937)
8. A. V. Zaitsevskii, C. van Wüllen, and A. V. Titov, Russ. Chem. Rev. RCRVAB 0036-021X 78, 1173 (2009). 10.1070/RC2009v078n12ABEH004075
9. S. N. Dmitriev, N. V. Aksenov, A. V. Belozerov, G. A. Bozhikov, V. I. Chepigin, R. Dressler, R. Eichler, H. W. Gäggeler, V. A. Gorshkov, R. A. Henderson, M. G. Itkis, A. M. Johnsen, J. M. Kenneally, V. Ya. Lebedev, O. N. Malyshev, K. J. Moody, Yu. Ts. Oganessian, O. V. Petrushkin, D. Piguet, A. Popeko, D. A. Shaughnessy, S. V. Shishkin, A. V. Shutov, M. A. Stoyer, N. J. Stoyer, A. I. Svirikhin, E. E. Tereshatov, G. K. Vostokin, M. Wegrzecki, P. A. Wilk, and A. V. Yeremin, Third International Conference on the Chemistry and Physics of the Transactinide Elements (TAN07), Book of Abstracts, Davos, Switzerland, 2007 (unpublished), p. 22.
10. R. Eichler, Abstracts of the NRC7 International Conference, Budapest, Hungary, 24-29 August 2008 (unpublished).
11. H. Gäggeler, Proceedings of the International Symposium "Periodic Table of D. I. Mendeleev. The New Superheavy Elements", Dubna, Russia, 20-21 January 2009 (unpublished).
12. S. G. Wang and W. H. E. Schwarz, J. Am. Chem. Soc. JACSAT 0002-7863 126, 1266 (2004). 10.1021/ja035097e (Pubitemid 38140761)
13. J. F. Dobson and B. P. Dinte, Phys. Rev. Lett. PRLTAO 0031-9007 76, 1780 (1996). 10.1103/PhysRevLett.76.1780
14. W. Kohn, Y. Meir, and D. E. Makarov, Phys. Rev. Lett. PRLTAO 0031-9007 80, 4153 (1998). 10.1103/PhysRevLett.80.4153
15. S. Grimme, J. Chem. Phys. JCPSA6 0021-9606 124, 034108 (2006). 10.1063/1.2148954 (Pubitemid 43133751)
16. A. Zaitsevskii, E. Rykova, N. S. Mosyagin, and A. V. Titov, Cent. Eur. J. Phys. CEJPA6 1644-3608 4, 448 (2006). 10.2478/s11534-006-0029-7
17. A. A. Rusakov, E. Rykova, G. E. Scuseria, and A. Zaitsevskii, J. Chem. Phys. JCPSA6 0021-9606 127, 164322 (2007). 10.1063/1.2795710 (Pubitemid 350094860)
18. N. S. Mosyagin, A. N. Petrov, A. V. Titov, and I. I. Tupitsyn, Prog. Theor. Chem. Phys. PTCPBG 1567-7354 15, 229 (2006). 10.1007/1-4020-4528-X-11
19. A. A. Granovsky, PC GAMESS/Firefly version 7.1.F, http://classic.chem. msu.su/gran/gamess/index.html
20. S. Wilson, J. Phys. B JPAPEH 0953-4075 12, 1623 (1979). 10.1088/0022-3700/12/10/008
21. A. V. Mitin and C. van Wüllen, J. Chem. Phys. JCPSA6 0021-9606 124, 064305 (2006). 10.1063/1.2165175 (Pubitemid 43248019)
22. A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38.3098
23. J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 33, 8822 (1986). 10.1103/PhysRevB.33.8822
24. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. CJPHAD 0008-4204 58, 1200 (1980).
25. C. Adamo and V. Barone, J. Chem. Phys. JCPSA6 0021-9606 110, 6158 (1999). 10.1063/1.478522