Second Quantized Approach to Quantum Chemistry: An Elementary Introduction

Second Quantized Approach to Quantum Chemistry: An Elementary Introduction
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量子化学的第二种量化方法:基本介绍

DOI:
10.1007/978-3-642-74755-7
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发表时间:
1989
期刊:
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影响因子:
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通讯作者:
P. Surján
P. Surján
中科院分区:
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文献类型:
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作者:
P. Surján

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这本书的目的是给一个简单的,简短的,和基本的介绍第二量子化形式主义作为适用于一个多电子系统。它是为那些,主要是化学家,谁是熟悉传统的量子化学,但尚未成为熟悉第二量子化。这种处理部分是基于作者就这一问题举行的一系列研讨会。人们已经认识到,许多量子化学家,无论是对理论还是对应用感兴趣,都是作为化学家而不是物理学家接受教育的,从来没有致力于学习第二量子化方法的课程。对于那些没有受过理论训练的人来说,大多数关于这个主题的教科书都不容易理解,或者它们不够详细,无法提供全面的治疗。与此同时,量子化学文献中有几篇论文利用了二次量子化,如果这些论文能被更广泛的阅读,那将是值得的。由于这个原因,本综述旨在回顾二次量子化的基本形式,并用这种语言处理量子化学的一些选定章节。大多数推导将以详细的方式进行,因此读者不必接受差距来理解结果。
The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quantization. The treatment is, in part, based on a series of seminars held by the author on the subject. It has been realized that many quantum chemists either interested in theory or in applications, being educated as chemi~ ts and not as physicists, have never devoted themselves to taking a course on the second quantized approach. Most available textbooks on this topic are not very easy to follow for those who are not trained in theory, or they are not detailed enough to offer a comprehensive treatment. At the same time there are several papers in quantum chemical literature which take advantage of using second quantization, and it would be worthwhile if those papers were accessible for a wider reading public. For this reason, it is intended in this survey to review the basic formalism of second quantization, and to treat some selected chapters of quantum chemistry in this language. Most derivations will be carried out in a detailed manner, so the reader need not accept gaps to understand the result.