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We have studied two probability potentials of a collinear oscillator atom chain and developed a Langevin dynamics approach for calculation. In the case of the harmonic chains, results of the Monte Carlo simulations are compared with the analytical solutions to verify the validity of this approach. In the case of 4-times coupled oscillator chains, the results of numerical simulations are used to the calculation of Hamiltonian. Then the system's energy distribution and the Maxwell-Boltzmann distribution are compared, and found to be in agreement with each other.
[1] Zwanzig R W 1960 J. Chem. Phys. 32 1173
[2] [3] McCarroll B, Ehrlich G 1963 J. Chem. Phys. 38 523
[4] Goodman F 1962 J. Chem. Phys. Solid 23 1269
[5] [6] Adelman S A, Brooks C L 1982 J. Chem. Phys. 86 1511
[7] [8] Adelman S A, Doll J D 1974 J. Chem. Phys. 61 4242
[9] [10] [11] Doll J D, Myers L E 1975 J. Chem. Phys. 63 4908
[12] [13] Martens S, Hennig D, Fugmann S, Schimansky-Geier L 2008 Phys. Rev. E 78 041121
[14] Lee M H, Hong J 1985 Phys. Rev. B 32 7734
[15] [16] [17] Tully J C 1980 J. Chem. Phys. 73 1975
[18] [19] Tasic U, Scott Day B, Yan T, Morris J R, Hase W L 2008 J. Phys. Chem. C 112 476
[20] Peng Y X, Liu L, Gao Z, Li S, Mazyar O. A, Hase W L, Yan T Y 2008 J. Phys. Chem. C 112 20340
[21] [22] [23] Nagard M B, Andersson P U, Markovic N, Petterssona J B C 1998 J. Chem. Phys. 109 10339
[24] Shiraishi M, Takenobu T, Ata M 2003 Chem. Phys. Lett. 367 633
[25] [26] [27] Liu J, Wang H Y, Bao J D 2013 Chin. Phys. B 22 060513
[28] Deng W H 2009 Phys. Rev. E 79 011112
[29] [30] Bao J D 2009 Stochastic Simulation Method of Classical and Quantum Dissipative Systems (Beijing: Science Press) p38 (in Chinese)[包景东2009经典和量子耗散系统的随机模拟方法(北京: 科学出版社)第38页]
[31] -
[1] Zwanzig R W 1960 J. Chem. Phys. 32 1173
[2] [3] McCarroll B, Ehrlich G 1963 J. Chem. Phys. 38 523
[4] Goodman F 1962 J. Chem. Phys. Solid 23 1269
[5] [6] Adelman S A, Brooks C L 1982 J. Chem. Phys. 86 1511
[7] [8] Adelman S A, Doll J D 1974 J. Chem. Phys. 61 4242
[9] [10] [11] Doll J D, Myers L E 1975 J. Chem. Phys. 63 4908
[12] [13] Martens S, Hennig D, Fugmann S, Schimansky-Geier L 2008 Phys. Rev. E 78 041121
[14] Lee M H, Hong J 1985 Phys. Rev. B 32 7734
[15] [16] [17] Tully J C 1980 J. Chem. Phys. 73 1975
[18] [19] Tasic U, Scott Day B, Yan T, Morris J R, Hase W L 2008 J. Phys. Chem. C 112 476
[20] Peng Y X, Liu L, Gao Z, Li S, Mazyar O. A, Hase W L, Yan T Y 2008 J. Phys. Chem. C 112 20340
[21] [22] [23] Nagard M B, Andersson P U, Markovic N, Petterssona J B C 1998 J. Chem. Phys. 109 10339
[24] Shiraishi M, Takenobu T, Ata M 2003 Chem. Phys. Lett. 367 633
[25] [26] [27] Liu J, Wang H Y, Bao J D 2013 Chin. Phys. B 22 060513
[28] Deng W H 2009 Phys. Rev. E 79 011112
[29] [30] Bao J D 2009 Stochastic Simulation Method of Classical and Quantum Dissipative Systems (Beijing: Science Press) p38 (in Chinese)[包景东2009经典和量子耗散系统的随机模拟方法(北京: 科学出版社)第38页]
[31]
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