量子化学中的内积及其模型  

Inner Product in the Quantum Chemistry and Models

作　　者：郑明花[1] 金京一[1] 

机构地区：[1]延边大学理学院化学系,吉林延吉133002

出　　处：《广州化工》2014年第22期42-43,94,共3页GuangZhou Chemical Industry

摘　　要：内积是量子化学中广泛应用的一个基本概念。首先对内积概念的产生进行了探讨,进一步对其进行了拓展,进而给出基本的模型和数学抽象,并结合具体的例子说明了内积的应用。最后还以德布罗意波来描述电子状态时的测不准原理,只能准确地描述电子的位置与动量之间的一个量来阐述了量子化学中内积与波函数的对应关系。Inner product was a basic concept in quantum chemistry. The origin of the concept was firstly discussed, and then the basic model and the related mathematic abstraction were set up. Application of the concept was exemplified by the specific models. Finally, it showed the correspondence between the internal product and wave function by the Heisenberg＇s uncertainty principle based on De Broglie wave.

关 键 词：内积 矢量 CAUCHY不等式 SCHWARZ不等式 波函数 

分 类 号：O641.12[理学—物理化学]