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SIAM-AMS Proceedings

SIAM-AMS Proceedings
Author: Donald S. Cohen
Publisher:
Total Pages:
Release: 1974
Genre:
ISBN:

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Mathematical Challenges from Theoretical/Computational Chemistry

Mathematical Challenges from Theoretical/Computational Chemistry
Author: Committee on Mathematical Challenges from Computational Chemistry
Publisher: National Academies Press
Total Pages: 144
Release: 1995-04-12
Genre: Mathematics
ISBN: 0309560640

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Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.


Mathematical Physics in Theoretical Chemistry

Mathematical Physics in Theoretical Chemistry
Author: S. M. Blinder
Publisher: Elsevier
Total Pages: 423
Release: 2018-11-26
Genre: Science
ISBN: 0128137010

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Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Brings together the most important aspects and recent advances in theoretical and computational chemistry Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry


ERDA Research Abstracts

ERDA Research Abstracts
Author:
Publisher:
Total Pages: 756
Release: 1975
Genre: Power resources
ISBN:

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Conceptual Trends in Quantum Chemistry

Conceptual Trends in Quantum Chemistry
Author: Eugene S. Kryachko
Publisher: Springer Science & Business Media
Total Pages: 257
Release: 2012-12-06
Genre: Science
ISBN: 9401108528

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The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can only answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.


Understanding Quantum Science

Understanding Quantum Science
Author: Steven M. Pascal
Publisher: CRC Press
Total Pages: 119
Release: 2023-08-17
Genre: Science
ISBN: 1000875822

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Students are naturally drawn to quantum science by the intriguing behaviors of small particles. However, they can also be intimidated by the lengthy and complicated treatment found in the classroom. Understanding Quantum Science: A Concise Primer for Students of Chemistry, Biochemistry, and Physics is a highly accessible book that offers students an opportunity to grasp the most fascinating of quantum topics, without the intimidation. To be sure, math is necessary, but it is introduced as needed and kept concise. The emphasis is on the science: a certain differential equation can be solved, and when it is, we find the energies that hydrogen atom electrons are allowed to have. Each concept is developed in this manner, keeping focus on how and why it arises, and on the intriguing consequences. This book provides a brief tour of some of the wonders of quantum science. But it is more than that, it is designed to be the most concise tour possible that truly explains how these wonders arise so that you can develop a working understanding of quantum concepts. If your goal is loftier and you wish to become a quantum specialist, the conceptual groundwork presented here, along with rationalization of the mathematics required, will position you well for higher level classes.