Evolution of the electronic structure and properties of neutral and charged arsenic clusters

Journal of Materials Science

Volumn 42, Issue 22, 2007, Pages 9154-9162

  Guo, Ling ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; NEGATIVE IONS; POSITIVE IONS;

BERNY STRUCTURAL OPTIMIZATION; COORDINATION NUMBERS; EVEN-ODD ALTERNATIONS; NEAREST-NEIGHBOR DISTANCES;

ARSENIC;

EID: 34548542695     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-007-1928-8     Document Type: Article

References (25)

1. Ballone P, Jones RO (1994) J Chem Phys 100:4941
2. Shen M, Schaefer III (1994) J Chem Phys 101:2261
3. Yoo RK, Ruscic B, Berkowitz J (1992) J Chem Phys 96:6696
4. Lippa TP, Xu SJ, Lyapustina SA (1998) J Chem Phys 109:10727
5. Chi X, Tian S, Xu K (2002) Chin J Chem Phys 15:22
6. Jones RO, Ganteor G, Hunsicker S, Pieperhoff P (1995) J Chem Phys 103:9549
7. Polak ML, Joe Ho, Gustav G, Lineberger WC (1992) J Chem Phys 97:8990
8. Zhang H, Balasubramanian K (1992) J Chem Phys 97:3437
9. Igel-Mann G, Stoll H, Preuss H (1993) Mol Phys 80:325
10. Haser M, Schneide U, Ahlrichs R (1992) J Am Chem Soc 114:9551
11. Scherer OJ (1990) Angew Chem Int Ed Engl 102:1137
12. Dimaio AJ, Rheingold AL (1990) Chem Rev 90:169
13. Voako SH, Wilk L, Nusair M (1980) Can J Phys 58:1200
14. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
15. Beck AD (1993) J Chem Phys 98:5468
16. Knight WD, Clemenger K, Saunders WA, Chou MY, Cohen ML (1984) Phys Rev Lett 52:2141
17. Rao BK, Jena P (1985) Phys Rev B 32:2058
18. Bhasker ND, Frueholz RP, Klimeak CM, Cook RA (1987) Phys Rev B 36:4418
19. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghava-chari K, Foresman JB, Cioslowski J, Ortiz JV, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (1998) computer code GAUSSIAN98, revision A.6. Gaussian, Inc., Pittsburgh, PA
20. Zhao J, Zhou X, Chen X, Wang J, Jellinek J (2006) Phys Rev B 73:115418
21. Bosworth YM, Clark JH, Rippon DM (1973) J Mol Spectrosc 46:240
22. Huber KP, Herzberg G (1979) Molecular spectra and molecular structure IV constants of diatomic molecules. Van Nostrand Reinhold, New York
23. Yi J (2000) Chem Phys Lett 325:269
24. Lide DR (ed) (2000). In: Chemical rubber company handbook of chemistry and physics, 81st edn. CRC Press, Boca Raton, Florida, USA
25. Schiferl D, Barrett CS (1969) J Appl Crystallogr 2:30