共查询到20条相似文献,搜索用时 46 毫秒
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S2分子X^3—Σ^—g和B^3Σ^—u态的势能函数和振动光谱特征 总被引:12,自引:4,他引:8
应用实验光谱数据,导出了S2的基态分子X3Σ-g和激发态B3Σ-u的MurelSorbie势能函数,并用QCISD(T)/6-311G方法对基态进行了计算,结果在吸引支出现了回避相交而产生了一个浅平极大,其他部位与实验结果符合甚好。计算了B3Σ-u和X3Σ-g态的全部振动能级,以及激发态(B3Σ-u)振动能级≤9和基态(X3Σ-g)振动能级≤30之间的Deslandres表。给出了B3Σ-u-X3Σ-g跃迁Condon抛物线,各振动态的计算结果与实验值很好符合。 相似文献
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本文引介绝热量子计算理论评述量子绝热定理最新的应用。基于量子绝热方法在最新的前沿领域量子计算中建立量子绝热算法。我们引介"局域量子绝热",并考虑了这一局域绝热概念对量子算法的可能应用。 相似文献
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绝热量子计算理论引介 总被引:2,自引:0,他引:2
本文引介绝热量子计算理论评述量子绝热定理最新的应用.基于量子绝热方法在最新的前沿领域量子计算中建立量子绝热算法.我们引介"局域量子绝热",并考虑了这一局域绝热概念对量子算法的可能应用. 相似文献
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采用绝热变分近似方法,计算了均匀强磁场(0.5≤β≤1000)中H+2的Δu,Φg,Γu,Hg态(无外磁场或外磁场较弱时为反键态)的能级及原子核间的平衡距离,并与前人的结果进行了比较。 相似文献
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采用绝热变分近似方法 ,计算了均匀强磁场 (0 .5≤β≤ 10 0 0 )中H 2 的Δu,Φg,Γu,Hg 态 (无外磁场或外磁场较弱时为反键态 )的能级及原子核间的平衡距离 ,并与前人的结果进行了比较。 相似文献
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采用绝热离分近似方法,计算最均匀强磁场(0.5≤β≤1000)中H2^+的△μ,Φg,Гu,Hg态(无外磁场或外磁场较弱时为反键)的能级及原子核间的平衡距离,并与前人的结果进行了比较。 相似文献
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文章首先概述了近年国际文献中关于量子绝热近似和绝热条件的不自洽性的研究.叙述了文献中关于绝热近似不自洽性的论证和争论.然后引入文章作者的观点,从不同于国外文献的角度出发指出应当正确地理解瞬时本征函数的相位问题,从这个相位的正确处理,得出结论:(1)MS不自洽的存在,不因计及几何相位而消除;(2)量子几何相位不自洽是不存在;(3)现时的标准的绝热近似条件不是充分条件. 相似文献
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文章首先概述了近年国际文献中关于量子绝热近似和绝热条件的不自洽性的研究.叙述了文献中关于绝热近似不自洽性的论证和争论.然后引入文章作者的观点,从不同于国外文献的角度出发指出应当正确地理解瞬时本征函数的相位问题,从这个相位的正确处理,得出结论:(1)MS不自洽的存在,不因计及几何相位而消除;(2)量子几何相位不自洽是不存在;(3)现时的标准的绝热近似条件不是充分条件. 相似文献
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L. A. Gribov 《Journal of Applied Spectroscopy》2006,73(3):323-327
The concept of the adiabatic approximation is introduced from a few new standpoints, and the conditions are refined under
which we can assume that the total energy of an electronic-vibrational (vibronic) state is the sum of the energies of the
“electronic” and the “nuclear” problems and the wave function is represented as the product of the corresponding functions.
An expression exactly corresponding to such an approximation is considered for the optical transition matrix element, and
its individual terms are analyzed for any change in the geometric structure of the molecule upon optical excitation.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 3, pp. 290–293, May–June, 2006. 相似文献
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In this paper,we derive an upper bound for the adiabatic approximation error,which is the distance between the exact solution to a Schr dinger equation and the adiabatic approximation solution.As an application,we obtain an upper bound for 1 minus the fidelity of the exact solution and the adiabatic approximation solution to a Schrdinger equation. 相似文献
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For a given Hermitian Hamiltonian H(s)(s∈[0,1])with eigenvalues Ek(s)and the corresponding eigenstates|Ek(s)(1 k N),adiabatic evolution described by the dilated Hamiltonian HT(t):=H(t/T)(t∈[0,T])starting from any fixed eigenstate|En(0)is discussed in this paper.Under the gap-condition that|Ek(s)-En(s)|λ0 for all s∈[0,1]and all k n,computable upper bounds for the adiabatic approximation errors between the exact solution|ψT(t)and the adiabatic approximation solution|ψadi T(t)to the Schr¨odinger equation i|˙ψT(t)=HT(t)|ψT(t)with the initial condition|ψT(0)=|En(0)are given in terms of fidelity and distance,respectively.As an application,it is proved that when the total evolving time T goes to infinity,|ψT(t)-|ψadi T(t)converges uniformly to zero,which implies that|ψT(t)≈|ψadi T(t)for all t∈[0,T]provided that T is large enough. 相似文献
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We investigate the dynamics of two qubits coupled with a quantum oscillator by using the adiabatic approximation method. We take account of the interaction between the qubits and show how the entanglement is affected by the interaction parameter. The most interesting result is that we can prolong the entanglement time or improve the entanglement degree by using an appropriate interaction parameter. As the generation and preservation of entanglement of qubits are crucial for quantum information processing, our research will be useful. 相似文献
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Using adiabatic approximation, a two arbitrary qubits Rabi model has been studied in ultra-strong coupling. The analytical expressions of the eigenvalues and the eigenvalues are obtained. They are in accordance with the numerical determined results. The dynamical behavior of the system and the evolution of entanglement have also been discussed. The collapse and revival phenomena has garnered particular attention. The influence of inconsistent coupling strength on them is studied. These results will be applied in quantum information processing. 相似文献
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In this paper, we present a quantitative sufficient condition for adiabatic approximation in PT-symmetric quantum mechanics, which yields that a state of the PT-symmetric quantum system at any time will remain approximately in the m-th eigenstate up to a multiplicative phase factor whenever it is initially in the m-th eigenstate of the Hamiltonian. In addition, we estimate the approximation errors by the distance and the fidelity between the exact solution and the adiabatic approximate solution to the time evolution equation, respectively. 相似文献