Relativistic Effects in Chemistry
Relativistic Effects in Chemistry
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DOI：
10.1002/9780470125854.ch4
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发表时间：
2007-01
期刊：
影响因子：
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通讯作者：
J. Almlöf;O. Gropen
中科院分区：
文献类型：
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作者：
J. Almlöf;O. Gropen
量子力学和相对论是现代物理学中两个最基本的理论。十九世纪初，很明显，现有理论无法解释大量新的、可靠的微观系统实验数据。量子力学的出现是为了纠正这种情况，这种全新的模型很快被接受为原子和分子科学的理论基础。相比之下，相对论主要是在形式和哲学基础上得出的，最初几乎没有实验支持，直到最近才被认为对化学很重要。原因之一是这两种理论不容易兼容。人们曾多次尝试制定一种将相对论思想与量子力学思想相结合的理论，1-3，但直到狄拉克的工作才获得了令人满意的相对论量子力学主方程——而且仅适用于单电子系统。 4 许多人认为，尚未找到适用于多粒子系统的令人满意的相对论量子理论。已经有许多或多或少的临时尝试来合并这两种理论，但大多数
Quantum mechanics and the theory of relativity are two of the most basic theories in modern physics. In the beginning of the nineteenth century it was clear that a wealth of new, reliable experimental data for microscopic systems could not be explained by existing theory. Quantum mechanics was introduced to remedy this situation, and this radically new model was rapidly accepted as the theoretical foundation of the atomic and molecular sciences. In contrast, the theory of relativity, which was arrived at on largely formal and philosophical grounds, and originally with little experimental support, has only recently been considered to be important for chemistry. One reason is that the two theories are not easily compatible. Several attempts were made to formulate a theory that would merge the ideas of relativity with those of quantum mechanics, 1-3 but it was only with the work of Dirac that a satisfactory master equation for relativistic quantum mechanics was obtained-—and then only for one-electron systems. 4 Many would argue that a satisfactory relativistic quan-tum theory for many-particle systems has yet to be found. There have been a number of more or less ad hoc attempts to merge the two theories, but most