量子化学 : 第3版

polyacetylene with uniform bondlengths? 15-8electrical conductivity? 15-9polyacetylene with alternating bond lengths--peierls'distortion? 15-10electronic structure of all-trans polyacetylene? 15-11comparison of ehmo and scf results onpolyacetylene? 15-12effects of chemical substitution on the π bands? 15-13poly-paraphenylene--a ring polymer? 15-14energy calculations? 15-15two-dimensional periodicity and vectors in reciprocalspace? 15-16periodicity in three dimensions--graphite? 15-17summary? problems? references? appendix 1useful integrals? appendix 2determinants? appendix 3evaluation of the coulomb repulsion integral overis aos? appendix 4angular momentum rules? appendix 5the pairing theorem? appendix 6hiickel molecular orbital energies, coefficients,electron densities, and bond orders for some simple molecules? appendix 7derivation of the hartree-fock equation? appendix 8the viriai theorem for atoms and diatomicmolecules? contents? appendix 9bra-ket notation? appendix 10values of some useful constants and conversionfactor,? appendix 11group theoretical charts and tables? appendix 12hints for solving selected problems? appendix 13answers to problems? index

《量子化学(第3版)》在写作风格上是第二版的延续，内容上进行了扩充，更新，讲解上更加详细。结合数学最新进展，在概念上达到清晰易懂。和同类型的书相比，这本书的最大优点是概念讲述地十分透彻，让读者重新认识各种计算方法的重要性。每章末都有习题，是学习量子化学研究生水平入门书籍，也很适合该专业的老师作为参考书。目次：经典波和时间独立schrdinger波方程；一些简单系统的量子力学；谐振子；类离子，角动量和刚量转动；多电子原子；量子力学定理和假设；变分法；简单hückel方法和应用；线性变分法的矩阵公式；扩展hückel方法；scf-lcao-mo方法和扩展；时间独立rayleigh-schrdinger扰动法；群论；定性分子轨道理论；周期系统的分子轨道。　　读者对象：物理、化学以及这两专业交叉学科的研究生，教师和科研人员。