理论化学的成就与展望

Q4 Social Sciences
Alberto Vela
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引用次数: 0

摘要

回顾了理论化学中发展起来的研究物质在许多空间和时间尺度的方法。一位著名的理论化学家的科学生涯被用来说明四十年来在理论、密码(算法)和计算机技术的发展方面取得的惊人进展如何使今天能够可靠地研究四十年前难以控制的系统的电子结构。本文强调,从理论角度研究化学的主要困难在于,在每一个尺度上,人们都要处理一个多体问题,其解决和理解仍然是一个未解决的、令人着迷的科学挑战。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Logros y perspectivas de la Química Teórica

A review of the methods developed within Theoretical Chemistry to study matter in many spatial and temporal scales is presented. The scientific career of a well known theoretical chemist is used to show how the astonishing advances that have been achieved in four decades in the development of theories, codes (algorithms) and computer technology allow nowadays the reliable study of the electronic structure of systems whose sizes were unmanageable forty years ago. It is emphasized that the central difficulty in studying Chemistry from a theoretical perspective is that, in every scale, one deals with a many-body problem whose solution and comprehension are still an unsolved and fascinating scientific challenge.

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来源期刊
Educacion Quimica
Educacion Quimica Social Sciences-Education
CiteScore
0.70
自引率
0.00%
发文量
78
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