Quantum Mechanical Tunneling in Chemical Physics (Hardcover)
Hiroki Nakamura, Gennady Mil'nikov
- 出版商: CRC
- 出版日期: 2013-04-12
- 售價: $1,350
- 貴賓價: 9.8 折 $1,323
- 語言: 英文
- 頁數: 226
- 裝訂: Hardcover
- ISBN: 1466507314
- ISBN-13: 9781466507319
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相關分類:
物理學 Physics、量子 Quantum
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商品描述
Quantum mechanical tunneling plays important roles in a wide range of natural sciences, from nuclear and solid-state physics to proton transfer and chemical reactions in chemistry and biology. Responding to the need for further understanding of multidimensional tunneling, the authors have recently developed practical methods that can be applied to multidimensional systems. Quantum Mechanical Tunneling in Chemical Physics presents basic theories, as well as original ones developed by the authors. It also provides methodologies and numerical applications to real molecular systems.
The book offers information so readers can understand the basic concepts and dynamics of multidimensional tunneling phenomena and use the described methods for various molecular spectroscopy and chemical dynamics problems. The text focuses on three tunneling phenomena: (1) energy splitting, or tunneling splitting, in symmetric double well potential, (2) decay of metastable state through tunneling, and (3) tunneling effects in chemical reactions. Incorporating mathematics to explain basic theories, the text requires readers to have graduate-level math to grasp the concepts presented.
The book reviews low-dimensional theories and clarifies their insufficiency conceptually and numerically. It also examines the phenomenon of nonadiabatic tunneling, which is common in molecular systems. The book describes applications to real polyatomic molecules, such as vinyl radicals and malonaldehyde, demonstrating the high efficiency and accuracy of the method. It discusses tunneling in chemical reactions, including theories for direct evaluation of reaction rate constants for both electronically adiabatic and nonadiabatic chemical reactions. In the final chapter, the authors touch on future perspectives.
商品描述(中文翻譯)
量子力學隧道效應在廣泛的自然科學領域中扮演重要角色,從核物理和固態物理到化學和生物學中的質子轉移和化學反應。為了進一步理解多維隧道效應的需求,作者最近開發了可應用於多維系統的實用方法。《化學物理中的量子力學隧道效應》介紹了基本理論以及作者所開發的原創理論。它還提供了對真實分子系統的方法論和數值應用。
本書提供了讀者理解多維隧道現象的基本概念和動力學,並使用所描述的方法解決各種分子光譜學和化學動力學問題的資訊。本書重點關注三種隧道現象:(1)對稱雙井位勢中的能量分裂或隧道分裂,(2)通過隧道衰變的亞穩態,以及(3)化學反應中的隧道效應。本書運用數學解釋基本理論,需要讀者具備研究生水平的數學知識才能理解所呈現的概念。
本書回顧了低維理論並澄清了它們在概念上和數值上的不足之處。它還研究了在分子系統中常見的非絕熱隧道效應。本書描述了對真實多原子分子(如乙烯自由基和馬隆醛)的應用,展示了該方法的高效性和準確性。它還討論了化學反應中的隧道效應,包括用於電子絕熱和非絕熱化學反應反應速率常數的直接評估理論。在最後一章中,作者提及了未來的展望。