Quantum Mechanical Tunneling in Chemical Physics (Hardcover)
暫譯: 化學物理中的量子力學隧道效應 (精裝版)
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自然科學的廣泛領域中扮演著重要角色,從核物理和固態物理到化學和生物學中的質子轉移及化學反應。為了滿足對多維隧道效應進一步理解的需求,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發展的原創理論。它還提供了方法論和對實際分子系統的數值應用。
本書提供的信息使讀者能夠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。文本重點關注三種隧道現象:(1) 對稱雙井勢能中的能量分裂或隧道分裂,(2) 通過隧道效應衰變的亞穩態,以及 (3) 化學反應中的隧道效應。文本中融入數學以解釋基本理論,要求讀者具備研究生水平的數學知識以掌握所呈現的概念。
本書回顧了低維理論,並在概念和數值上澄清其不足之處。它還考察了在分子系統中常見的非絕熱隧道現象。書中描述了對實際多原子分子的應用,例如乙烯基自由基和丙二醛,展示了該方法的高效率和準確性。它討論了化學反應中的隧道效應,包括對電子絕熱和非絕熱化學反應的反應速率常數的直接評估理論。在最後一章中,作者觸及未來的展望。