Background
Parr, Robert Ghormley was born on September 22, 1921 in Chicago, Illinois, United States. Son of Leland Wilbur and Grace (Ghormley) Parr.
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(This book is a rigorous, unified account of the fundament...)
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
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Parr, Robert Ghormley was born on September 22, 1921 in Chicago, Illinois, United States. Son of Leland Wilbur and Grace (Ghormley) Parr.
AB magna cum laude with high honors in Chemistry, Brown University, 1942. Doctor of Philosophy in Physical Chemistry, University Minnesota, 1947. Doctor (honorary), University Leuven, 1986.
Doctor (honorary), Jagiellonian University, 1996.
Assistant professor of chemistry, University of Minnesota, 1947-1948;
member of faculty, Carnegie Institute Technology, 1948-1962;
professor of chemistry, Carnegie Institute Technology, 1957-1962;
professor of chemistry, Johns Hopkins University, 1962-1974;
department chairman, Johns Hopkins University, 1969-1972;
William R. Kenan, Junior professor theoretical chemistry, U. North Carolina, Chapel Hill, 1974-1990;
Wassily Hoeffding professor chemical physics, U. North Carolina, Chapel Hill, since 1990. Visiting professor of chemistry, member Center Advanced Study, University of Illinois, 1962. Distinguished visiting professor State University of New York, Buffalo, Pennsylvania State University, 1967.
Visiting professor Japan Society Promotion of Science, 1968, 79, U. Haifa, 1977, Free U., Berlin, 1977, Duke U., 1996-1997. Firth professor of University Sheffield, 1976. Coochbehar professor Indian Association Cultivation of Science, 1990.
Sandoval Vallarta professor Universidad Autónoma Metropolitana-Iztapalapa, 1992. Chairman of Commission postdoctoral fellowships in chemistry NAS-National Research Council, 1961-1963. Chairman panel theoretical chemistry Westheimer committee survey chemistry NAS, 1964.
Member county Gordon Research Conference, 1974-1976. Member Commision on Human Resources, National Research Council, 1979-1982. Member county Institute for Molecular Science, Okazaki, Japan, 1986-1988.
Board of trustees Institute for Fundamental Chemistry, Kyoto, Japan, since 1988.
Working with DuPont chemist Rudolph Pariser, Parr developed a method of computing approximate molecular orbitals for pi electron systems, published in 1953. Since an identical procedure was derived by John A. Pople the same year, it is generally referred to as the Pariser-Parr-Pople method or PPP method. The PPP method differed from existing structural chemistry thinking (which advocated maximum overlap principle) by advancing the concept of zero differential overlap approximation.
By 1978 Parr had realized that density functional theory (DFT) would be extremely useful in quantitative calculations of chemical and biological systems, especially those with high molecular weights.
In 1988 Parr, Weitao Yang and Chengteh Lee produced an improved DFT method which could approximate the correlation energy of systems. The LYP functional theory is now one of the most-often cited papers in the chemical literature.
In 1963 Parr published Quantum Theory of Molecular Electronic Structure, one of the first books to apply quantum theory to chemical systems.
In 1989 he and Yang published Density Functional Theory of Atoms and Molecules, now considered the basic textbook on DFT.
Member of the International Academy of Quantum Molecular Science
1967 - Co-founded (with 4 others) the International Academy of Quantum Molecular Science
1994 - Winner of American Chemical Society's Irving Langmuir Award in Chemical Physics
2004 - winner of United States National Academy of Sciences Award in Chemical Sciences
2009 - winner of American Chemical Society's Award in Theoretical Chemistry.
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Fellow American Association for the Advancement of Science, American Physical Society (chairman division chemical physics 1963-1964). Member National Academy of Sciences (award in chemical science, 2004), American Association of University Professors, American Chemical Society (chairman division physical chemistry 1978, Irving Langmuir award in chemical physics 1994, theoritical chemistry award 2009), American Academy Arts and Science, Indian National Science Academy, International Academy Quantum Molecular Science (president 1991-1997), Phi Beta Kappa, Sigma Xi, Phi Lambda Upsilon, Pi Mu Epsilon.
Married Jane Bolstad, May 28, 1944. Children: Steven Robert, Jeanne Karen, Carol Jane.