Expts-2011 - Physical Chemistry Course Number: C362 Why do...

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Unformatted text preview: Physical Chemistry Course Number: C362 Why do we want to learn Quantum Mechanics? Quantum mechanics is a mathematical theory that can be used to predict properties of atoms, molecules, nano-materials, and condensed phase sys- tems. It can also be used to understand chemical reactions, including the dynamical evolution of reactants and products, as a function of time. However, as P. A. M. Dirac, one of the founders of quantum mechanics in the 1920s, once noted: With quantum mechanics the basic princples of all of chemistry and most of biology can be written down. However, the associated equations are much too complex to solve in any modern day computer. While Dirac said this during the early 20th century, this statement is still true. But today we are able to predict many chemical and bio-chemical phenomena us- ing quantum mechanics, through new algorithms and faster computers. Thus quantum mechnanics is becoming a predictive tool for chemistry, materials science and biochemistry. One of the advantages here is that with accurate quantum mechanical theo- ries, one can calculate properties for systems that are difficult to isolate ex- perimentally. This generally results in a better understanding of transition states, prediction of alternate reaction pathways, (and sometimes prediction of new chemical concepts) while designing new materials. A brief search on web of science shows an exponential growth in the number of articles that pertain to the utilization and development of quantum chem- ical tools, which again provides a validation to the fact that this area is now becoming a facilitating predictive tool: Chemistry, Indiana University 10 c circlecopyrt 2011, Srinivasan S. Iyengar (instructor) Physical Chemistry Course Number: C362 2 Experimental findings Two ways of beginning a class on Quantum Mechanics: 1. A historical perspective allows understanding the experimental findings be-1....
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This note was uploaded on 01/17/2012 for the course C 362 taught by Professor Amarflood during the Winter '11 term at Indiana.

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Expts-2011 - Physical Chemistry Course Number: C362 Why do...

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