Symbolic Algebra in Quantum Chemistry

Complex symbolic algebra, such as the manipulation of second-quantized operators, Slater determinants, Feynman diagrams, is inevitable in quantum chemistry. Increasingly, these operations are performed by the computerized systems that can handle higher mathematical constructs than just numbers and simple arithmetic. This article reviews these new algorithms that automate the algebraic transformation and computer implementation of many-body quantum-mechanical methods for electron correlation. They enable a whole new class of highly complex but vastly accurate methods, the manual development of which is no longer practical     

基于拆分思想的酸碱滴定误差公式简便推导

提出了一种酸碱滴定误差公式推导的新方法。该方法利用拆分思想即可方便地导出酸碱滴定误差公式,避免了现行教材中利用物料平衡方程(MBE)和电荷平衡方程(CBE)联立推导该公式的繁琐,便于学生理解和掌握。     

HpD肿瘤定位组份的时间分辨荧光光谱研究

采用微微秒激光作激发源的时间相关单光子计数系统测量了血卟啉衍生物的肿瘤定位组分(TLF)在缓冲液中不同阳离子表面活性剂浓度下的荧光衰减波形I(t)和时间分辨光谱I(λ,t).     

Derivations and Skew Polynomial Rings

Soient D un corps non nécessairement commutatif et L un sous-corps de D. On établit une condition nécessaire et suffisante pour que le groupe multiplicatif L de L soit d'indice fini dans son normalisateur N dans D. Lorsque la dimension à gauche [D : L]_g est un nombre premier, on précise le groupe N/L et la structure de D.     

APPLICATION OF PARAMETRIC DERIVATION METHOD TO THE CALCULATION OF PEIERLS ENERGY AND PEIERLS STRESS IN LATTICE THEORY

Applying the parametric derivation method,Peierls energy and Peierls stress are calculated with a non-sinusoidal force law in the lattice theory,while the results obtained by the power-series expansion according to sinusoidal law can be deduced as a limiting case of non- sinusoidal law.The simplified expressions of Peierls energy and Peierls stress are obtained for the limit of wide and narrow.Peierls energy and Peierls stress decrease monotonically with the factor of modification of force law.Present results can be used expediently for prediction of the correct order of magnitude of Peierls stress for materials.     

素特征域上Witt代数及极大子代数的2-局部导子

李代数的导子代数对李代数结构的研究有重要作用。特征零的代数闭域上有限维半单李代数的导子都是内导子,该类李代数同构于其导子代数。作为导子的自然推广,李代数的2-局部导子对李代数局部性质的研究,具有重要作用,研究了素特征域上李代数的2-局部导子。设F是特征p>3的代数闭域,g是域F上p-维Witt代数,g0是g的极大子代数,讨论了g和g0的2-局部导子的性质,证明了g和g0的所有2-局部导子均为导子。     

有限维模李超代数W(m,n,l,(t))的θ-型导子与导子超代数

In this paper F always denotes a field of characteristic P＞2.We construct the finitedimensional modular Lie superalgebra W(m,n,l,(t))over a field F,define θ-type derivation and determine the derivation superalgebra of w(m,n,l,(t)).     

素环上导子的线性组合

In this paper we discuss the linear combination of derivations in prime rings which was initiated by Niu Fengwen.Our aim is to improve Niu‘s result.For the proof of the main theorem we generalize a result of Bresar and obtain a lemma that is of independent interest.     

On approximately higher ring derivations

In this paper, we examine the Hyers-Ulam, the Isac and Rassias-type stability and the Bourgin-type superstability of a functional inequality corresponding to the following functional equation, respectively: