论文标题
透视:相对论量子化学的要点
Perspective: Essentials of Relativistic Quantum Chemistry
论文作者
论文摘要
相对论量子化学已经演变成肥沃的大田,现在正成为主流化学的一部分。然而,鉴于涉及广泛涉及的物理学和数学(与非同性量子化学相比),仍然有必要清理相对论电子结构理论和方法论的基本要素(因此,未经启动的读者可以迅速地拾取正确的创意和工具,以进一步开发或应用程序),以及该领域的PINP PRINP PRINP OF FUTER OF FUFER。为此,将突出显示电子结构计算的三个方面,即相对论,相关性和QED。
Relativistic quantum chemistry has evolved into a fertile and large field and is now becoming an integrated part of mainstream chemistry. Yet, given the much-involved physics and mathematics (as compared with nonrelativistic quantum chemistry), it is still necessary to clean up the essentials underlying the relativistic electronic structure theories and methodologies (such that uninitiated readers can pick up quickly the right ideas and tools for further development or application) and meanwhile pinpoint future directions of the field. To this end, the three aspects of electronic structure calculations, i.e., relativity, correlation, and QED, will be highlighted.