双Λ原子系统中的有效哈密顿量

用微扰论方法计算了光与双Λ原子系统相互作用的有效哈密顿量,计算结果表明,在考虑到二阶微扰项的情况下,有效哈密顿量合理地解释了拉曼过程所产生的非线性效应,从而可用于分析原子非线性引起的非经典效应随泵浦场的拉比频率、泵浦场失谐的变化关系.     

铍原子基态交换-相关能的多体理论计算

到目前为止,几乎所有的关于原子基态的多体计算都是以Hartree-Fock(HF)模型为零级近似。本文将零级哈密顿量取为Hartree-Fock-Slater(HFS)型的,在双激发(两体)近似下,对Be原子基态交换-相关能进行了多体理论计算,得到了与实验及别的作者以HF模型为零级近似所作多体计算相符合的结果。计算表明,以HFS模型为零级近似,对闭合壳层原子基态亦可成功地进行多体计算。 关键词：     

非厄米哈密顿量的物理意义

分析了一个脉冲激光与原子相互作用的四能级系统，并考虑最上层能级的自电离过程，从而引入非厄米哈密顿量.在缀饰原子模型下，通过直接求解此哈密顿量的本征值与本征函数，得到系统布居的演化函数.与数值方法所得演化函数的对比表明二者相当符合，从而肯定了非厄米哈密顿量在量子力学框架中的地位，并得到其本征值虚部的物理意义.这将使传统量子力学中力学量的定义得以拓展. 关键词： 非厄米哈密顿量 缀饰原子模型     

基于关联基的壳模型截断计算

提出了一种新的用于壳模型截断计算的基矢空间的构建方法,即关联基的方法。关联基是利用壳模型中每个粒子数分布下哈密顿量的本征态作为基矢。在此基矢之上,可以很自然地通过考虑能量相对较低的关联基矢进行相应的截断计算。当所有的关联基矢都被考虑时,计算结果回到一般jj耦合给出的结果。最后,对关联基下壳模型的计算与标准的壳模型计算进行了比较,计算结果表明,关联基下壳模型能量和波函数有着良好的收敛性,同时表明关联基计算的有效性。     

非简并Raman耦合模型的改进型有效哈密顿量

本文研究了一个∧一型三能级原子与双模量腔场的相互作用，在原子－场失谐量较大的条件下，把这个模型化为非简并Ｒａｍａｎ耦合模型提出了非简并Ｒａｍａｎ耦合模型的改进型有效哈密顿量，给出了其适用条件，分析表明，在研究Ｒａｍａｎ耦合模型时，通常的有效哈密顿量是不合适的，必须计及原子能级（起码能级之一）的交流Ｓｒａｒｋ移动的影响。     

730 eV电子碰撞He原子(e, 2e)电离的三重微分截面

考虑初态He原子电子间的关联效应、末态敲出电子与剩余束缚电子间的关联效应和末态屏蔽效应, 计算和分析了在共面、大能量损失和小动量转移这一特殊几何条件下730eV电子离化He原子的三重微分截面. 所得结果与Stevenson等人的相对实验数据和CCC理论计算结果进行比较发现: 所得到的理论曲线能够反映实验数据给出的三重微分截面的结构特征.     

730 eV电子碰撞He原子(e, 2e)电离的三重微分截面

考虑初态He原子电子间的关联效应、末态敲出电子与剩余束缚电子间的关联效应和末态屏蔽效应, 计算和分析了在共面、大能量损失和小动量转移这一特殊几何条件下730eV电子离化He原子的三重微分截面. 所得结果与Stevenson等人的相对实验数据和CCC理论计算结果进行比较发现: 所得到的理论曲线能够反映实验数据给出的三重微分截面的结构特征.     

锂原子能量的近似解

本文用屏蔽库仑势模型将锂原子的哈密顿量加以简化，然后用微扰法求解了锂原子一系列能级值，计算简洁，结果也与实验值符合得很好。     

原子极化率计算中的核实极化效果

本文引入核实极化势考虑了价电子与核实电子之间的关联效应,从而对Hatree—Fork微扰方程进行了修正。应用此方法,我们计算了碱土原子Be到Ba以及稀土原子Yb的极化率.得到了与实验符合的结果。这些结果是6.07,11.14,24.02,30.54,45.32和30.15A(?)。其中,Yb的结果,是本文首次报告的。原子和分子的偶极极化率是一个重要的物理参量。它在原子碰撞中(尤其是低能碰撞)起决定性作用。它也是决定量子亏损,核屏蔽效应的重要物理参量。所以精确地计算原子的极化率是非常必要的。我们在耦合的Hatree-Fock微扰论的基础之上,引入核实极化这一物理效应,建立了一种较简捷而有效的引入关联的微扰方法,计算了Be、Mg Ca、Sr、Ba及Yb原子的偶极极化率,取得了与实验数据相符的结果。与其他作者的结果相比较,有显著的改进。其中,对原子Yb,我们首次报告了较精确的结果.     

电子—原子,分子散射过程中的势模型

总结讨论了反映电子－原子散射过程中交换、关联极化、吸收（非弹性散射）和相对论效应的势模型及其在电子被原子、分子散射截面计算中的应用     

聚合物中长程关联能的动力学研究

本文计算采用扩展的SSH哈密顿模型, 加上长程关联哈密顿量,在自然边界条件下,用绝热动力学方法研究了有限长反式聚乙炔链中平均关联能随时间的演化,计算了长程电子关联对极化子动力学的影响并计算了极化子状态下的长程关联能。结果发现,加入一个电子或空穴,平均关联能的大小随着时间呈非周期性阻尼振荡,经过一定时间后,平均关联能趋近一个恒定值,此时得到比较稳定的极化子位形。当格点增加时,长程关联能趋于恒定的时间逐渐缩短。     

Correlated squeezed-state approach for the ground state of strongly correlated electrons coupled to local Holstein phonons

Summary In the present work we have applied the correlated squeezed-state approach to investigate the ground state of the extended Hubbard model which is coupled to local Holstein phonons. Our study begins with decoupling the electron and phonon subsystems approximately by introducing a variational correlated squeezed-state ansatz for the phonons. Then assuming the renormalized intersite electron correlation of the effective electronic Hamiltonian to be attractive and the renormalized on-site correlation repulsive, we have applied the generalized Hartree-Fock approximation to obtain the ground state of the system, which is a superconducting state with intersite pairing. With optimal values of the variational parameters the correlated squeezed-state approach will by construction yield a ground-state energy lower than those obtained in previous studies. This means that our variational ansatz is more stable as the ground state of the system. Furthermore, our variational study shows that in the correlated squeezed state the polaronic reduction effect of phonons is much more alleviated, and thus the mass enhancement inherent to the polaron effect is noticeably weakened. This weakening of the reduction effect should, in turn, significantly affect other physical properties of the system.     

长程电子关联对有限长聚乙炔链中极化子态的影响

本文采用扩展Hubbard模型, 加上长程关联哈密顿量,在自然边界条件下用自洽场方法研究了有限长反式聚乙炔链中极化子的问题。计算了长程电子关联对极化子的影响并计算了极化子的长程关联能。计算发现长程电子关联使极化子的位形变宽变浅(局域性减弱),在极化子区域,长程电子关联能比平均长程电子关联能要大。当链长增加到100格点以上时,电子极化子和空穴极化子的平均关联能趋于-0.1663eV,而在极化子区域,电子极化子和空穴极化子的平均关联能趋于-0.1868eV。     

Flow equations for the one-dimensional Kondo lattice model: static and dynamic ground state properties

The one-dimensional Kondo lattice model is investigated by means of Wegner's flow equation method. The renormalization procedure leads to an effective Hamiltonian which describes a free one-dimensional electron gas and a Heisenberg chain. The localised spins of the effective model are coupled by the well-known RKKY interaction. They are treated within a Schwinger boson mean field theory which permits the calculation of static and dynamic correlation functions. In the regime of small interaction strength static expectation values agree well with the expected Luttinger liquid behaviour. The parameter K_ρ of the Luttinger liquid theory is estimated and compared to recent results from density matrix renormalization group studies.     

Effective electron Hamiltonian for a quasi one-dimensional system. The (TMTSF)2X and the (TMTTF)2X systems

In this paper we have introduced a variational approach to investigate the ground state of a model which includes both the Holstein electron-phonon interaction and the extended Hubbard electron-electron interaction. We have considered a variational state for the phonon subsystem which generalizes the previous used forms. This state allows to take into account the possibility of extended phonon mediated correlations. The effective electron Hamiltonian, which we have obtained, includes first and second neighbor electron-electron interaction terms. We have treated exactly, through a Lanczos method, this effective model in the one-dimensional case. We have applied our method to two Bechgaard salts and in these cases we have estimated the correlation parameters. We have shown that the introduction of electron-phonon interaction allows an estimate of the on site U and nearest-neighbor V Coulomb repulsion, which are in agreement with the experimental optical spectra of the above mentioned two compounds. Received: 30 October 1997 / Revised: 28 January 1998 / Accepted: 10 April 1998     

Relativistic effects in the variable-screening model

The variable-screening model devised for a quantitative treatment of screening effects in slow (quasimolecular) ion-atom collisions is extended to include relativistic effects. Relativistic correction terms corresponding to a relative energy correction of second order in the electron velocity are incorporated into the effective molecular single-electron Hamiltonian. The model is applied to the calculation of relativistic molecular-orbital correlation diagrams for the quasimolecular systems Br+Br, Xe+Xe, and I+Au. A detailed comparison of our results with the results of relativistic calculations for (unscreened) one-electron systems and calculations based on self-consistent field methods is performed. The agreement with Dirac-Fock-Slater results is fairly good, and could be improved further by read-justing the values of the parameters in the atomic potentials used to construct the effective molecular potential.     

Relativistic effects in the variable-screening model

The variable-screening model devised for a quantitative treatment of screening effects in slow (quasimolecular) ion-atom collisions is extended to include relativistic effects. Relativistic correction terms corresponding to a relative energy correction of second order in the electron velocity are incorporated into the effective molecular single-electron Hamiltonian. The model is applied to the calculation of relativistic molecular-orbital correlation diagrams for the quasimolecular systems Br+Br, Xe+Xe, and I+Au. A detailed comparison of our results with the results of relativistic calculations for (unscreened) one-electron systems and calculations based on self-consistent field methods is performed. The agreement with Dirac-Fock-Slater results is fairly good, and could be improved further by read-justing the values of the parameters in the atomic potentials used to construct the effective molecular potential.     

Dynamics of one electron in a nonlinear disordered chain

In this paper we report new numerical results on the disordered Schr?dinger equation with nonlinear hopping. By using a classical harmonic Hamiltonian and the Su-Schrieffer-Heeger approximation we write an effective Schr?dinger equation. This model with off-diagonal nonlinearity allows us to study the interaction of one electron and acoustical phonons. We solve the effective Schr?dinger equation with nonlinear hopping for an initially localized wavepacket by using a predictor-corrector Adams-Bashforth-Moulton method. Our results indicate that the nonlinear off-diagonal term can promote a long-time subdiffusive regime similar to that observed in models with diagonal nonlinearity.     

Quantum friction in a periodic potential

In this paper we study the quantum friction problem using the Hamiltonian of Caldirola-Kanai for a periodic Mathieu's type potential. In the sequel we study the lattice electron with friction we introduce a new effective Hamiltonian of the Caldirola-Kanai form for a Bloch's band. Finally we study the cases of closed solutions of Schrödinger's equation.     

Effective Hamiltonian in the extended Krenciglowa-Kuo method

The extended Krenciglowa-Kuo (EKK) method allows us to calculate the effective Hamiltonian in a non-degenerate model space. We show that the EKK method can be implemented numerically in two iterative schemes, which are explained in detail with emphasis on convergence conditions. Using test calculations in a simple model, we clarify how and on what conditions we can calculate the effective Hamiltonian.