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讨论了DNA一维Holstein模型的严格对角化求解方法，在此基础上比较它与相干态变分法的结果，从而对后者的可靠性及精确程度进行检验，得到的结果表明两者确有明显的差异，严格对角化解方法得到的基态能量更低，达到饱和情形的格点数更少，本方法不仅可以讨论系统的基态，而且还能给出其能谱及激发态.严格对角化解方法对DNA的研究较之变分法的讨论有显著的改进.
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关键词:
- Holstein模型 /
- 严格对角化解 /
- 基态能量 /
- 能谱
A exact diagonalization solution method for solving the one-dimensional Holstein model of DNA is discussed in this paper. We compared the results of this paper with the former results of coherent state variational method （CVM） to check the reliability and accuracy of CVM. It is clearly seen that the ground state energy calculated by exact diagonalization solution method is considerably smaller than that of the CVM and can reach the saturation with smaller site number. With the strict method we can not only obtain the ground state energy, but also the spectra of all excited states. Therefore there is a significant improvement in the studying of Holstein model than the former CVM .-
Keywords:
- Holstein model /
- exact diagonalization solution /
- ground-state energy /
- spectrum
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[1] ［1］Endres R G, Cox D L, Singh R R P 2004 Rev. Mod.Phys. 76 195
[2] ［2］Tadao T, Kiyohiko K, Mamoru F, Tetsuro M 2004 Proc. Natl. Acad. Sci. USA 101 14002
[3] ［3］Kalosakas G, Rasmussen K , Bishop A R 2003 J. Chem. Phys. 118 3731
[4] ［4］Giese B, Amaudrut J, Ke’hler A K, Spormann M, Wessely S 2001 Nature 412 318
[5] ［5］Yoo K H, Da D H, Lee J O, Park J W, Kim J H, Kim J J, Lee H Y, Kawai T, Choi H Y 2001 Phys. Rev. Lett. 87 198102
[6] ［6］Xie P, Dou S X, Wang P Y 2005 Chin. Phys. 14 744
[7] ［7］Sheng Y B, Li J, Ma B L, Wang W 2005 Chin. Phys. 14 2365
[8] ［8］Deng C, Weng Y M, Xu Z Z, Fei L 2005 Acta Phys. Sin. 54 2434 （in Chinese）［邓闯、翁渝民、徐至中、费伦 2005 54 2434］
[9] ［9］Heim T, Me’lin T, Deresmes D, Vuillaume D 2003 Appl. Phys. Lett. 85 2637
[10] ］Thomas H, Dominique D and Dominique V 2004 J. Appl. Phys. 96 2927
[11] ］Yu Z G, Vo Anh, Gong Z M, Long S C 2002 Chin. Phys. 11 93
[12] ］Li W, Wang P Y, Dou S X, Tong P Q 2003 Chin. Phys. 12 96
[13] ］Barnett R N, Cleveland C L, Joy A, Landman U, Schuster G B 2001 Science 294 567
[14] ］Gervasio F L, Carloni P, Parrinello M 2002 Phys. Rev. Lett. 89 108102
[15] ］Alexandre S S, Artacho E, Solar J M, Chacham H 2003 Phys. Rev. Lett. 91 108105
[16] ］Liu Tao, Wang Y, Wang K L 2007 Chin. Phys. 16 0272［17］Yang Z Y，Hao Y 2005 Acta Phys. Sin. 54 2883（in Chinese ）［杨子元、 郝跃 2005 54 2883 ］
[17] ］Kou Z Q, Di N L, Ma X, Li Q A, Cheng Z H 2005 Chin. Phys. 14 1653
[18] ］Wang K L, Chen Q H, Wan S L 1994 Acta Phys. Sin 43 433（in Chinese ）［汪克林、 陈庆虎、 完绍龙 1994 43 433 ］
[19] ］Huang S W，Liu T，Fan Y X, Wang K L 2007 Acta Phys. Sin 56 433（in Chinese ）［黄书文、 刘涛、 范云霞、 汪克林 2007 56 433 ］
[20] ］Zhang Z J, Wang K L，Qin G 2005 Chin. Phys. 141317
[21] ］Liu T, Feng M, Wang K L 2005 Phys. Lett. A 337 487
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