- 巻冊次
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2. The toolkit : pbk ISBN 9780198502272
内容説明
The chemist's approach to the understanding of matter and its chemical transformations is to take a microscopic view, connecting experimental observation with the properties of the constituent molecules. Atoms and sub-atomic particles do not obey the classical laws of mechanics but conform rather to the laws of quantum mechanics. Quantum mechanics is thus of central importance in chemistry. In order to understand the behaviour of molecules and their constituent
particles it is necessary to have a thorough grounding in the principles and applications of quantum mechanics. Quantum Mechanics 2: The Toolkit provides a toolkit for applying quantum mechanics to chemical problems, introducing more advanced approaches using approximate methods. It describes areas of
chemistry where quantum mechanics is important, and shows how quantum mechanics can be applied to chemical problems.
目次
- 1. Exact symmetries
- 2. Optimisation
- 3. Perturbations
- 4. Fields and couplings
- 5. Times
- Index
- 巻冊次
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1. Foundations : pbk ISBN 9780198557616
内容説明
Quantum mechanics is of central importance in chemistry. To understand matter and its chemical transformations it is necessary to take a microscopic view connecting experimental observation to the properties of constituent molecules. However, at this microscopic level atoms and sub- atomic particles do not obey the classical laws of mechanics that pertain to the everyday macroscopic world. They obey the laws of quantum mechanics. The aim of this book is to explain
the fundamentals of quantum mechanics from the point of view of chemistry; to describe areas of chemistry where quantum mechanics is most important; and to show how quantum mechanics is applied to chemical problems. To this end, the book is divided into two parts: the first deals with the foundations
of quantum mechanics (concentrating on exactly soluble problems and the reduction of complicated problems to simple foundations) and the second is a tool kit for applying quantum mechanics to chemical problems (thus concentrating on approximate methods). Although advanced mathematics has been kept to a minimum, the nature of the subject means a certain amount of mathematics is necessary and it is assumed the reader is familiar with a typical first year mathematics course. Quantum
Mechanics is an intermediate level text aimed at second and third year undergraduates.
目次
- Introduction
- 2. Fundamental Principles
- 2. Separations
- 3. Exact Solutions
- 4. Symmetries
- 5. Normal modes of vibration
- 6. Molecular Orbitals
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