Friedrich Hund: A Pioneer of Quantum Chemistry (1896–1997)

Resonance

article

Shridhar R Gadre¹  Nityananda Sahu² 

[1] Department of Scientific Computing, Modelling and Simulation Savitribai Phule Pune University Pune 411 007.;Fachbereich Chemie - Philipps-Universit ¨ at Marburg Hans-Meerwein-Strasse-4 35032 Marburg

关键词: Quantum chemistry;    Hund’s rules;    angular momentum;    atomic and molecular term symbols;    molecular orbital theory;    Hund’s coupling cases;    quantum tunneling.;   

DOI  :  10.1007/s12045-022-1445-8

学科分类：社会科学、人文和艺术（综合）

来源: Springer

【 摘 要 】

Very few physicists who laid the foundation stone of quantummechanics have played as important a role in chemistryas Friedrich Hund [1]. The following two significant contributionsbear his name. (i) ‘Hund’s rules’ dealing with theelectronic configuration of atoms and the atomic term symbols.These rules are now a part of high school chemistryworldwide and have been generalized to diatomic moleculesby Hund himself. (ii) ‘Hund’s coupling cases’ called by himas (a) to (d) addressing the ways in which various quantummechanical angular momenta (electron spin, orbital angularmomentum, rotation) couple to form the total angular momentumvia vector addition. Another early and pioneeringwork by Hund was on the quantum mechanical tunneling effect.However, the most significant and long-lasting contributionof Hund, together with Mulliken, was to establish themolecular orbital (MO) theory on a firm footing. In view ofthis, the MO theory became known as the Mulliken–HundMO theory.

【 授权许可】

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