Perdew, John

As we ourselves kept plugging along, the quantum chemical community largely was negative about DFT, even antagonistic. Their house journal International Journal of Quantum Chemistry, in 1980, published a pointed criticism of it [3] There seems to be a misguided belief that a one-particle density can determine the exact N-body ground state. In 1982, Mel Levy and John Perdew replied with a... 

Mel Levy and John P. Perdew in Density Functional Methods in Physics, edited by Reiner M. Dreizler and Joao da Providencia (Plenum, New York, 1985), p. 11. 

John P. Perdew (1) Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118... 

Perdew JP (2009) Density functional theory, http //007-chbooks.blogspot.com/2009/07/density-functional-theory-john-p-perdew.html... 

In this section we give a brief (not comprehensive) survey of some results which have been reported using GGA s. While the detailed numbers for a given calculation vary when the different GGA s are used, the overall trends, concerning which quantities are improved by a good GGA relative to LSD, typically do not. However, since the PW91 form is derived from first principles (essentially without semi-empirical parameters) and obeys more exact conditions than any of the others, as discussed in section 3.2, we strongly recommend it for future calculations. The codes are freely available on request to John Perdew (perdew mailhost.tcs.tulane.edu). 

We are very grateful to John Perdew, Jianmin Tao, Andreas Savin, Sergey Maximoff, Oleg Vydrov, and Artur Izmaylov for comments and suggestions about our manuscript. This work was supported by the National Science Foundation, the Welch Foundation, and the Department of Energy. 

Acknowledgement. It is a pleasure to thank Professors P. T. Narasimhan, Alarich Weiss, Peter Schmidt, Keiji Morokuma, Peter Politzer, R. G. Parr, Mel Levy, John Perdew, Viraht Sahni and Drs. M. C. Bohm, M. Harbola, L. J. Bartolotti and J. Seminario for their valuable guidance. The financial support from the Department of Science and Technology, New Delhi, is gratefully acknowledged. 

John P. Perdew, Lucian A. Constantin, and Adrienn Ruzsinszky... 

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