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首页> 外文期刊>International Journal of Quantum Chemistry >PERTURBATION EXPANSION OF THE GROUND-STATE ENERGY FOR THE ONE-DIMENSIONAL CYCLIC HUBBARD SYSTEM IN THE HUCKEL LIMIT
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PERTURBATION EXPANSION OF THE GROUND-STATE ENERGY FOR THE ONE-DIMENSIONAL CYCLIC HUBBARD SYSTEM IN THE HUCKEL LIMIT

机译:一维循环哈勃极限中一维循环哈伯系统的基态能量的扰动展开

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The perturbation expansion coefficients for the ground-state energy of the half-filled one-dimensional Hubbard model with N = 4 nu + 2, (nu = 1, 2,...) sites and satisfying cyclic boundary conditions were calculated in the Huckel limit (U/beta-->O), where beta designates the one-electron hopping or resonance integral, and U, the two-electron on-site Coulomb integral. This was achieved by solving-order by order-the Lieb-Wu equations, a system of transcendental equations that determines the set of quasi-momenta {k(i)} and spin variables {tau(alpha)} for this model. The exact values for these quantities were found for the N = 6 member ring up to the 20th order in terms of the coupling constant B = U/2 beta, as well as numerically for 10 less than or equal to N less than or equal to 50, and the N = 6 Lieb-Wu system was reduced to a system of sextic algebraic-equations. These results are compared with those of the infinite system derived analytically by Misurkin and Ovchinnikov [Teor. Mat. Fiz. 11, 127 (1972)]. It is further shown how the results of this article can be used for the interpolation by the root of a polynomial It is demonstrated that a polynomial of relatively small degree provides a very good approximation for the energy in the intermediate coupling region. (C) 1995 John Wiley & Sons, Inc. [References: 21]
机译:在Huckel中计算N = 4 nu + 2(nu = 1,2,...)个位点并满足循环边界条件的半填充一维Hubbard模型的基态能量的摄动扩展系数极限(U / beta-> O),其中beta表示单电子跳跃或共振积分,U表示两电子现场库仑积分。这是通过按顺序求解Lieb-Wu方程来实现的,Lieb-Wu方程是一个先验方程组,它确定该模型的准动量{k(i)}和自旋变量{tauα}的集合。对于N = 6的成员环,根据耦合常数B = U / 2 beta,以及在数值上小于或等于N的10小于等于N的情况下,找到了这些数量的精确值,直至N = 6的成员环。 50,并且N = 6的Lieb-Wu系统简化为性别代数方程的系统。将这些结果与Misurkin和Ovchinnikov [Teor。垫。菲兹11,127(1972)]。进一步显示了如何通过多项式的根将本文的结果用于插值。证明了相对较小阶数的多项式可以很好地近似中间耦合区域中的能量。 (C)1995 John Wiley&Sons,Inc. [参考:21]

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