Abstract
The effects of energy transfer from swift ion radiation to molecules are best described by the stopping cross section of the target for the projectile ion. In turn, the mean excitation energy of the target is the determining factor in the stopping cross section. Using polarization propagator methodology, the mean excitation energies of the five DNA nucleobases have been calculated, and subsequently used to determine the stopping cross sections of the bases.
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References
C. von Sonntag, The Chemical Basis for Radiation Biology, Taylor and Francis, London (1987)
C. von Sonntag, Free-radical DNA damage and its repair - a chemical perspective, Springer Verlag, Heidelberg (2005)
For a general review of the theory see: M. Inokuti, Rev. Mod. Phys. 43, 297 (1971); J.F. Ziegler, J. Appl. Phys./Rev. Appl. Phys. 85, 1249 (1999)
J.F. Ziegler, J.P. Biersack, U. Littmark, The Stopping and Range of Ions in Solids. Vol. 1 of the Stopping and Ranges of Ions in Matter, Pergamon Press, Oxford (1985)
J.F. Janni, At. Data Nuc. Data Tables 27, 150 (1982)
E. Bonderup, Penetration of Charged Particles through Matter, 2nd edition, University of Århus, Århus (1981)
H. Bethe, Ann. Phys. (Leipzig) 5, 325 (1930)
F. Bloch, Ann. Phys. (Leipzig) 16, 285 (1933)
U. Fano, Ann. Rev. Nucl. Sci. 13, 67 (1963)
Cf. e.g. M.C. Walske, Phys. Rev. 88, 1283 (1952); ibid. 101, 940 (1956); E. Bonderup, K. Dan. Vidensk. Selsk. Mat. Fys. Medd. 35, No. 17 (1967); G.S. Khandelwal, Nuc. Phys. A 116, 97 (1968), J. Oddershede, J.R. Sabin, At. Data Nuc. Data Tables 31, 275 (1984)
J.R. Sabin, J. Oddershede, Int. J. Quantum Chem 109, 2933 (2009)
J.R. Sabin, J. Oddershede, Nucl. Inst. Methods B 27, 280 (1987); J. Oddershede, J.R. Sabin, Nucl. Inst. Methods B 42, 7 (1989)
S. Bruun-Ghalbia, S.P.A. Sauer, J. Oddershede, J.R. Sabin, J. Phys. Chem. B 114, 633 (2010).
S.P.A. Sauer, J. Oddershede, J.R. Sabin, J. Phys. Chem. C 114, 20335 (2010)
J.C. Ashley, R.H. Ritchie, W. Brandt, Phys. Rev. B 5, 2393 (1972); ibid. Phys. Rev. A 8, 2404 (1973)
J. Lindhard, Nucl. Inst. Methods 132, 1 (1976)
For a review of the theory and implementation of the polarization propagator method, see J. Oddershede, P. Jørgensen, D.L.Yaeger, Compt. Phys. Rep. 2, 3 (1984); J. Oddershede, Adv. Chem. Phys. 69, 201(1987); S.P.A. Sauer, Molecular Electromagnetism: A Computational Chemistry Approach, Oxford University Press, Oxford, 2011, Chapters 2 & 10
J. Geertsen, J. Oddershede, J.R. Sabin, Phys. Rev. A 34, 1104 (1986)
P. Jørgensen, J. Oddershede, N.H.F. Beebe, J. Chem. Phys. 68, 2527 (1978)
S.P.A. Sauer, G.H.F. Diercksen, J. Oddershede, Int. J. Quantum Chem. 39, 667 (1991)
S. Bruun-Ghalbia, S.P.A. Sauer, J. Oddershede, J.R. Sabin, Eur. Phys. J. D 60, 71 (2010)
J. Oddershede, J.R. Sabin, Phys. Rev. A 39, 5565 (1989)
S.P.A. Sauer, J.R. Sabin, J. Oddershede, Nucl. Inst. Methods B 100, 458 (1995)
S.P.A. Sauer, J. Oddershede, J.R. Sabin, J. Phys. Chem A 110, 8811 (2006)
A.D. McLachlan, M.A. Ball, Rev. Mod. Phys. 36, 844 (1964)
J.D. Rowe, Rev. Mod. Phys. 40, 153 (1968)
Aa. E. Hansen, T.D. Bouman, Mol. Phys. 37, 1713 (1979)
K. Aidas, J. Kongsted, J.R. Sabin, J. Oddershede, K.V. Mikkelsen, S.P.A. Sauer, J. Phys. Chem. Lett. 1, 242 (2010)
W. Thomas, Naturwiss. 13, 627 (1925)
W.Z. Kuhn, Phys. 33, 408 (1925)
F. Reiche, F., W. Thomas, Z. Phys. 34, 510 (1925)
R.A. Harris, J. Chem. Phys. 50, 3947 (1969)
P. Jørgensen, J. Oddershede, J. Chem Phys. 78, 1898 (1983).
J. Oddershede, J.R. Sabin, At. Data Nuc. Data Tables 31, 275 (1984)
C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988); A.D. Becke, J. Chem. Phys. 98, 5648 (1993)
W.J. Hehre, R. Ditchfield, J.A. Pople, J. Chem. Phys. 56, 2257(1972); T. Clark, J. Chandrasekhar, P. Schleyer, J. Comp. Chem. 4, 294 (1983)
M. Schreiber, M.R. Silva-Junior, S.P.A. Sauer, W. Thiel, J. Chem. Phys. 128, 134110 (2008)
R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 162, 165 (1989); M. Häser, R. Ahlrichs, J. Comput. Chem., 10, 104 (1989); O. Treutler, R. Ahlrichs, J. Chem. Phys. 102, 346 (1995); R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996); S. Grimme, F. Furche, R. Ahlrichs, Chem. Phys. Lett. 361, 321 (2002); F. Furche, D. Rappoport, Computational Photochemistry. In Computational, Theoretical Chemistry; M. Olivucci, Ed.; Elsevier: Amsterdam, 2005; Vol. 16; Chapter 3; M.v.Arnim, R. Ahlrichs, J. Chem. Phys. 111, 9183 (1999)
TURBOMOLE V6.0 2009, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com
S.P.A. Sauer, J.R. Sabin, J. Oddershede, Phys. Rev. A 47, 1123 (1993)
J.R. Sabin, R. Cabrera-Trujillo, Y. Öhrn, E. Deumens, J. Phys.: Conf. Series 101, 012009 (2008)
J.R. Sabin, R. Cabrera-Trujillo, N. Stolterfoht, E. Deumens, Y. Öhrn, Nucl. Inst. Methods B 267, 196 (2009)
Acknowledgments
This work was supported by the Danish Center for Scientific Computing (DCSC), the Carlsberg Foundation and the Danish Natural Science Research Council/The Danish Councils for Independent Research (Grant No. 272-08-0486).
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Sauer, S.P.A., Oddershede, J., Sabin, J.R. (2012). Theory and Calculation of Stopping Cross Sections of Nucleobases for Swift Ions. In: García Gómez-Tejedor, G., Fuss, M. (eds) Radiation Damage in Biomolecular Systems. Biological and Medical Physics, Biomedical Engineering. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-2564-5_12
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