Matrix functions in mathematical chemistry

来源 :The 12th Meeting of the International Academy of Mathematica | 被引量 : 0次 | 上传用户：shanon0577

【摘要】

：

　　I will introduce the concept of a matrix function.Then,starting from a tightbinding model,i.e.,Huckel molecular orbital method,I will show how the use of ma

【作者】

：

Ernesto Estrada

【机构】

：

UniversityofStrathclyde,UK

【出处】

：

The 12th Meeting of the International Academy of Mathematica

【发表日期】

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2016年7期

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　　I will introduce the concept of a matrix function.Then,starting from a tightbinding model,i.e.,Huckel molecular orbital method,I will show how the use of matrix functions allow for the definition of the electronic partition function of a molecule and all the arsenal of statistical mechanics.

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Matrix functions in mathematical chemistry

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