Relativistic Effects in Heavy‐Element Chemistry
作者:
Bernd Artur Heß,
期刊:
Berichte der Bunsengesellschaft für physikalische Chemie
(WILEY Available online 1997)
卷期:
Volume 101,
issue 1
页码: 1-10
ISSN:0005-9021
年代: 1997
DOI:10.1002/bbpc.19971010102
出版商: Wiley‐VCH Verlag GmbH&Co. KGaA
关键词: Chemical Bond;Quantum Mechanics;Relativity;Wave Functions
数据来源: WILEY
摘要:
AbstractThe nature of relativistic effects in the electronic structure of atoms and molecules is explained and an account of theoretical methods for relativistic calculations in a quantum‐mechanical framework is given. The focus is on the requirement of reducing the number of degrees of freedom in the theory in order to obtain computationally efficient and still highly accurate approximations. Some applications illustrating the relativistic effects in coinage metal atoms and molecules are discusse
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