Abstract
This book contains the work of people who spoke and presented posters at the Ohio Supercomputer Center Workshop on Theory and Applications of Density Functional Theory in Chemistry 7–9 May 1990, in Columbus Ohio that was organized by the editors, Jan Labanowski and Jan Andzelm. A large fraction of those attending the conference were people from different corners of chemistry who were simply curious about density functional theory in chemistry, Jan Labanowski being one example. That point was underlined for me shortly before my talk. I was holding a molecular model of what I had assumed would be universally recognized as the icosahedral sixty-carbon-atom Buckminsterfullerene1 molecule. The person sitting next to me interpreted that model as the rhino virus, a very much larger molecule. As this book demonstrates, there was and is the expectation that density functional methods will enable first principles treatment of chemical systems that are significantly larger and more complex than those accessible by ab initio methods.
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© 1991 Springer-Verlag New York, Inc.
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Dunlap, B.I. (1991). Introduction. In: Labanowski, J.K., Andzelm, J.W. (eds) Density Functional Methods in Chemistry. Springer, New York, NY. https://doi.org/10.1007/978-1-4612-3136-3_1
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DOI: https://doi.org/10.1007/978-1-4612-3136-3_1
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