Davidson Ernest R
Department of Chemistry, University of Washington, Seattle, Washington 98195, USA; email:
Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA.
Annu Rev Phys Chem. 2019 Jun 14;70:1-20. doi: 10.1146/annurev-physchem-042018-052300. Epub 2019 Jan 2.
A brief history of quantum theory is given to illustrate the barriers to progress caused by preconceived ideas. The biases in my own thinking which I had to overcome to approach the right answer for the right reason are discussed. This is followed by a personal autobiography illustrating how I have led a life of serendipity with no real sense of purpose. Chance events have shaped my life. The algorithms for which I am best known are briefly discussed. Then highlights from the many applications of theory to excited states, bonding in ice, spin properties and magnetism, (e,2e) shake-up spectra, and organic reactions are mentioned. This wide range of applications is mostly due to accidental collaboration with colleagues who sought my help. My real interest was in developing methods which could address these problems.
本文给出了量子理论的简史，以说明先入为主的观念对进步造成的障碍。文中讨论了我自己思维中的偏见，为了基于正确的理由找到正确答案，我必须克服这些偏见。接下来是一篇个人自传，讲述了我如何过着充满意外发现的生活，却没有真正的目标感。偶然事件塑造了我的人生。文中简要讨论了我最为人所知的算法。然后提到了该理论在激发态、冰中的键合、自旋性质和磁性、(e,2e) 振激光谱以及有机反应等诸多应用中的亮点。如此广泛的应用大多归功于与寻求我帮助的同事的偶然合作。我真正感兴趣的是开发能够解决这些问题的方法。
