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21.
The recently proposed electron-hole potential (EHP) method for excited states is extended to the multi-configurational case. The variation equation is solved using the quadratic convergence method. The EHP methods are shown to be approximations to the complete singly excited configuration interaction (CSECI) in the variational sense. Extended Brillouin theorems are proved for the EHP methods. The excitation energies and wave functions obtained by one and two configurational EHP methods agree well with those of the CSECI method. The EHP methods have clear advantage in the computer time requirement over the CI method and are especially suited for a calculation of approximate excited states of large molecules. The EHP methods are applicable to excited states which belong to the same irreducible representation as the ground state.  相似文献   
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A computational study of perfluorinated methane derivatives was performed with complete basis set ab initio methods. The total energies for their neutral, cation, and anionic states were computed. From these values, the energy gaps between different electronic states, ionization potentials, electron affinities, and C-F bond dissociation energies were calculated. The computed values are compared with experimental data and the reliability of complete basis set ab initio methods is discussed. New values for C-F bond dissociation energies are suggested. Received: 12 January 1998 / Accepted: 2 April 1998 / Published online: 29 July 1998  相似文献   
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Existence of amplitude independent frequencies of oscillation is an unusual property for a nonlinear oscillator. We find that a class of N coupled nonlinear Liénard type oscillators exhibit this interesting property. We show that a specific subset can be explicitly solved from which we demonstrate the existence of periodic and quasiperiodic solutions. Another set of N coupled nonlinear oscillators, possessing the amplitude independent nature of frequencies, is almost integrable in the sense that the system can be reduced to a single nonautonomous first order scalar differential equation which can be easily integrated numerically.  相似文献   
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Incomplete data in soft sets lead to uncertainty and inaccuracy in representing and handling information. This paper introduces notions of complete distance between two objects and relative dominance degree between two parameters. Based on both the notions, an object-parameter method is proposed to predict unknown data in incomplete fuzzy soft sets. The proposal makes full use of known data, including the information from the relationship between known values of all objects on a certain parameter and the information from the relationship between known values of an object on all parameters. The effectiveness of the proposal is verified by many examples under the compared investigation of classical predicted methods.  相似文献   
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In Korchmáros et al. (2018)one-factorizations of the complete graph Kn are constructed for n=q+1 with any odd prime power q such that either q1(mod4) or q=2h?1. The arithmetic restriction n=q+1 is due to the fact that the vertices of Kn in the construction are the points of a conic Ω in the finite plane of order q. Here we work on the Euclidean plane and describe an analogous construction where the role of Ω is taken by a regular n-gon. This allows us to remove the above constraints and construct one-factorizations of Kn for every even n6.  相似文献   
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In this paper, we investigate the complete moment convergence for dependent linear processes with random coefficients to form  相似文献   
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余开平  朱玲华 《应用数学》2015,37(12):1073-7075,1078
目的 探讨右半结肠癌行完全结肠系膜切除术(CME)清扫肠系膜根部淋巴结的临床疗效。方法 以2010年12月 至2012 年12 月行CME 的57 例右半结肠癌患者作为观察组,同期接受传统结肠癌根治术的99 例右半结肠癌患者作为对照组,对两组患者的淋巴结清扫数量、平均出血量、手术时间、住院时间、术后排气、排便时间、手术并发症、2年局部复发率及生存率等情况进行比较,初步评价CME 清扫肠系膜根部淋巴结的临床效果。结果 CME 组与对照组总淋巴结清扫数量分别为(22.6±2.8)、(14.6±2.7)枚,CME 组淋巴结清扫数量明显多于对照组(P<0.05);CME 组平均出血量为(167.4±20.8)ml,对照组为(205.4±19.3)ml,CME 组出血量少于对照组(P<0.05);两组的手术时间、住院时间、术后排气、排便时间比较差异均无统计学意义(均P>0.05);CME 组手术并发症发生率与对照组比较差异无统计学意义(P >0.05);Ⅲ期患者CME 组2 年局部复发率38.2%、生存率88.2%,对照组分别为64.8%和68.5%,两组差异有统计学意义(均P<0.05)。结论 右半结肠癌患者采用CME 清扫肠系膜根部 淋巴结是安全和有效的。  相似文献   
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