Prospects for first-principle calculations of scintillator properties

Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Volumn 422, Issue 1-3, 1999, Pages 111-118

  Derenzo, Stephen E ^a   Weber, Marvin J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Ab initio; Hole transport; Modeling; Scintillation; Self trapped holes

Indexed keywords

EID: 0000301040     PISSN: 01689002     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0168-9002(99)01084-0     Document Type: Article

References (14)

1. G. Blasse, Chem. Matter 6 (1994) 1465.
2. SCINT95, Inorganic Scintillators and Their Applications, Delft University Press, Delft, 1995.
3. SCINT97, Inorganic Scintillators and Their Applications, Chinese Academy of Sciences, Shanghai Branch Press, Shanghai, 1997.
4. P.A. Rodnyi, Physical Processes in Inorganic Scintillators, CRC Press, Boca Raton, FL, 1997.
5. G. Blasse, B.C. Grabmaier, Luminescent Materials, Springer, New York, 1994.
6. K.S. Song, R.T. Williams, Self-Trapped Excitons, Springer, New York, 1993.
7. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman et al., Gaussian 94 (Revision D.3), Pittsburgh, PA, 1995.
8. Examples of other commercial ab-initio quantum chemistry software are QChem, a product of QChem, Inc., Export, PA, and Jaguar, a product of Schroedinger, Inc., Portland, OR.
9. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO Version 3.1, 1995.
10. S.E. Derenzo, M.J. Weber, Ab-initio cluster calculations of hole transport and activator excitation in CsI : Tl and CsI : Na, IEEE Nuclear Science Symp. Conf. Record (CD-ROM), 1997.
11. J.D. Valentine, W.W. Moses, S.E. Derenzo, D.K. Wehe, G.F. Knoll, Nucl. Instr. and Meth. A 325 (1993) 147.
12. D.F. Anderson, J.A. Kierstead, P. Lecoq, S. Stoll, C.L. Woody, Nucl. Instr. and Meth. A 342 (1994) 473.
13. J.M. Spaeth, W. Meise, K.S. Song, J. Phys.: Condens. Matter 6 (1994) 3999.
14. V. Nagirnyi, S. Zazubovich, V. Zepelin, M. Nikl, G.P. Pazzi, Chem. Phys. Lett. 227 (1994) 533.