Improved theoretical calculations of InN in its X3Σ- ground state and in the first 3Π excited state

Chemical Physics Letters

Volumn 447, Issue 4-6, 2007, Pages 215-220

  Demovič, Lukáš ^a   Černušák, Ivan ^a   Theodorakopoulos, Giannoula ^b   Petsalakis, Ioannis D ^b   Urban, Miroslav ^a  

^a Physics and Informatics   (Slovakia)

^b THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITED STATES; GROUND STATE; MOLECULAR INTERACTIONS; RATE CONSTANTS; SPECTROSCOPIC ANALYSIS;

HARTREE-FOCK COUPLED CLUSTERS; MULTIREFERENCE CONFIGURATION INTERACTION (MRDCI);

SEMICONDUCTING INDIUM COMPOUNDS;

EID: 35248856543     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.09.035     Document Type: Article

References (29)

1. Bhuiyan A.G., Hashimoto A., and Yamamoto A. J. Appl. Phys. 94 (2003) 2779
2. Wu J., et al. J. Appl. Phys. 94 (2003) 4457
3. Ponce F.A., and Bour D.P. Nature 386 (1997) 351
4. Walukiewicz W., et al. J. Crystal Growth 269 (2004) 119
5. Walukiewicz W., et al. J. Phys. D - Appl. Phys. 39 (2006) R83
6. Ueno L.T., Roberto-Neto O., Canuto S., and Machado F.B.C. Chem. Phys. Lett. 413 (2005) 65
7. Denis P.A., and Balasubramanian K. Chem. Phys. Lett. 423 (2006) 247
8. Theodorakopoulos G., and Petsalakis I.D. Chem. Phys. Lett. 423 (2006) 445
9. Lawniczak-Jablonska K., et al. Phys. Rev. B 61 (2000) 16623
10. Mahboob I., et al. Phys. Rev. B 69 (2004)
11. Qteish A., Al-Sharif A.I., Fuchs M., Scheffler M., Boeck S., and Neugebauer J. Comput. Phys. Commun. 169 (2005) 28
12. Kandalam A.K., Pandey R., Blanco M.A., Costales A., and Recio J.M. J. Phys. Chem. B 104 (2000) 4361
13. Costales A., Kandalam A.K., Pendas A.M., Blanco M.A., Recio J.M., and Pandey R. J. Phys. Chem. B 104 (2000) 4368
14. Buenker R.J., and Krebs S. In: Hirao K. (Ed). Recent Advances in Multireference Methods (1999), World Scientific, Singapore 1
15. Martin J.M.L., Lee T.J., Scuseria G.E., and Taylor P.R. J. Chem. Phys. 97 (1992) 6549
16. Mochizuki Y., and Tanaka K. Theoret. Chem. Acc. 101 (1999) 292
17. Gutsev G.L., Jena P., and Bartlett R.J. J. Chem. Phys. 110 (1999) 2928
18. Banerjee A., Pramanik A., and Das K.K. Chem. Phys. Lett. 429 (2006) 62
19. Lajohn L.A., Christiansen P.A., Ross R.B., Atashroo T., and Ermler W.C. J. Chem. Phys. 87 (1987) 2812
20. Pacios L.F., and Christiansen P.A. J. Chem. Phys. 82 (1985) 2664
21. Roos B., Lindh R., Malmqvist P.-A., Veryazov V., and Widmark P.O. J. Phys. Chem. A 108 (2004) 2851
22. Hess B.A. Phys. Rev. A 33 (1986) 3742
23. Neogrady P., Urban M., and Hubac I. J. Chem. Phys. 100 (1994) 3706
24. Neogrady P., and Urban M. Int. J. Quantum Chem. 55 (1995) 187
25. Andersson K., Malmqvist P.-A., and Roos B. J. Chem. Phys. 96 (1992) 1218
26. Karlström G., et al. Comput. Mater. Sci. 28 (2003) 222
27. Barysz M., Sadlej A.J., and Snijders J.G. Int. J. Quantum Chem. 65 (1997) 225
28. Maroulis G. J. Chem. Phys. 108 (1998) 5432
29. Roos B., and Malmqvist P.-A. Phys. Chem. Chem. Phys. 6 (2004) 2919