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In this paper, we use the Huxley potential function to fit the interaction energy data, which have been calculated at the theoretical level of the QCISD(T)/aug-cc-pVTZ. Differential and partial cross-sections of 16Ne, 20Ne, 34Ne atoms and HF molecule collisions are calculated by the accurate close-coupling approximation method when the incident energy is 100meV. We study the changing tendencies of Ne-HF collisional cross-sections with Ne isotopic substitution.
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Keywords:
- anisotropic potential /
- close-coupling approximation /
- cross-section /
- isotopic substitution
[1] Moszynski R, de Weerd F, Groenenboom G C, van der Avoird A 1996 Chem. Phys. Lett. 263 107
[2] Held W D, Piper E, Ringer G, Toennies J P 1980 Chem. Phys. Lett. 75 260
[3] Teonnies J P, Weiz W, Wolf G 1976 J. Chem. Phys. 64 5305
[4] Höche H, Toennies J P, Vollmer R 1993 Phys. Rev. Lett. 71 1208
[5] Faubel M, Glanturco F A, Fagnetti F, Rusan L Y, Tappe U, Teonnies J P 1994 J. Chem. Phys. 101 8800
[6] Bauer W, Rusin L Y, Teonnies J P, Walaschewski K 1977 J. Chem. Phys. 66 3837
[7] Toennies J P, Vilesov A F 2004 Angewandte Chemie International Edition 43 2622
[8] Murrell J N, Sorbie K S 1983 J. Chem. Soc. Faraday Trans. I!I 79 323
[9] Tang K T, Toennies J P 1981 J. Chem. Phys. 74 1148
[10] Partridge H, Stallcop J R, Levin E 2001 J. Chem. Phys. 115 6471
[11] Tang K T, Toennies J P 2003 J. Chem. Phys. 118 4976
[12] Thuis H H W, Stolte S 1980 J. Reuss. Chem. Phys. 52 211
[13] Zhu Z H, Yu H G 1997 Molecular Structures and Molecular Potential Energy Functions (Beijing: Scinence Press) 103 (in Chinese) [朱正和, 俞华根 1997 分子结构与分子势能函数 (北京:科学出版社) 第103页]
[14] Gurtiss C F 1970 J. Chem. Phys. 52 1078
[15] Beneventi L, Casaveccha P, Volpi G G 1991 J. Chem. Phys. 95 5827
[16] Choi B H, Tang K T 1975 J. Chem. Phys. 63 1775
[17] Boys S F, Bernadi F 1970 Mol. Phys. 19 533
[18] Simon S, Duran M, Dannenberg J J 1996 J. Chem. Phys. 105 11024
[19] Yu C R, Song X S, Cheng X L, Yang X D, Shen C S 2008 Acta Phys. Sin. 57 3446 (in Chinese) [余春日, 宋晓书, 程新路, 杨向东, 申传胜 2008 物理学报 57 3446]
[20] Zhang Y 2003 Guizhou Science 21 9 (in Chinese) [张愚 2003 贵州科学 21 9]
[21] Chapman W B, Weida M J, Nesbitt D J 1997 J.Chem.Phys. 106 2248
[22] Bemstein R B 1997 Atom-Molecule Collision Theory: A Guide for the Experimentalist (New York: Plenum Press)
[23] Vohralik P F, Miller R E, Watts R O 1989 J. Chem. Phys. 90 2182
[24] Bransden B H 1979 Atomic Collisions Theory (the Benjamin/cummings publishing company inc.)
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[1] Moszynski R, de Weerd F, Groenenboom G C, van der Avoird A 1996 Chem. Phys. Lett. 263 107
[2] Held W D, Piper E, Ringer G, Toennies J P 1980 Chem. Phys. Lett. 75 260
[3] Teonnies J P, Weiz W, Wolf G 1976 J. Chem. Phys. 64 5305
[4] Höche H, Toennies J P, Vollmer R 1993 Phys. Rev. Lett. 71 1208
[5] Faubel M, Glanturco F A, Fagnetti F, Rusan L Y, Tappe U, Teonnies J P 1994 J. Chem. Phys. 101 8800
[6] Bauer W, Rusin L Y, Teonnies J P, Walaschewski K 1977 J. Chem. Phys. 66 3837
[7] Toennies J P, Vilesov A F 2004 Angewandte Chemie International Edition 43 2622
[8] Murrell J N, Sorbie K S 1983 J. Chem. Soc. Faraday Trans. I!I 79 323
[9] Tang K T, Toennies J P 1981 J. Chem. Phys. 74 1148
[10] Partridge H, Stallcop J R, Levin E 2001 J. Chem. Phys. 115 6471
[11] Tang K T, Toennies J P 2003 J. Chem. Phys. 118 4976
[12] Thuis H H W, Stolte S 1980 J. Reuss. Chem. Phys. 52 211
[13] Zhu Z H, Yu H G 1997 Molecular Structures and Molecular Potential Energy Functions (Beijing: Scinence Press) 103 (in Chinese) [朱正和, 俞华根 1997 分子结构与分子势能函数 (北京:科学出版社) 第103页]
[14] Gurtiss C F 1970 J. Chem. Phys. 52 1078
[15] Beneventi L, Casaveccha P, Volpi G G 1991 J. Chem. Phys. 95 5827
[16] Choi B H, Tang K T 1975 J. Chem. Phys. 63 1775
[17] Boys S F, Bernadi F 1970 Mol. Phys. 19 533
[18] Simon S, Duran M, Dannenberg J J 1996 J. Chem. Phys. 105 11024
[19] Yu C R, Song X S, Cheng X L, Yang X D, Shen C S 2008 Acta Phys. Sin. 57 3446 (in Chinese) [余春日, 宋晓书, 程新路, 杨向东, 申传胜 2008 物理学报 57 3446]
[20] Zhang Y 2003 Guizhou Science 21 9 (in Chinese) [张愚 2003 贵州科学 21 9]
[21] Chapman W B, Weida M J, Nesbitt D J 1997 J.Chem.Phys. 106 2248
[22] Bemstein R B 1997 Atom-Molecule Collision Theory: A Guide for the Experimentalist (New York: Plenum Press)
[23] Vohralik P F, Miller R E, Watts R O 1989 J. Chem. Phys. 90 2182
[24] Bransden B H 1979 Atomic Collisions Theory (the Benjamin/cummings publishing company inc.)
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