Search Results - DENSITY functional theory

1

Academic Journal

The five problems of irreversibility.

Authors: te Vrugt, Michael¹ (AUTHOR) michael.tevrugt@uni-muenster.de

Superior Title: Studies in History & Philosophy of Science Part A. Jun2021, Vol. 87, p136-146. 11p.

Subject Terms: *NONEQUILIBRIUM statistical mechanics, *DENSITY functional theory, *PHYSICISTS, *THERMODYNAMICS, *STATISTICAL mechanics, *NONEQUILIBRIUM thermodynamics

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2

Academic Journal

Disciplines, models, and computers: The path to computational quantum chemistry.

Authors: Lenhard, Johannes¹ johannes.lenhard@uni-bielefeld.de

Superior Title: Studies in History & Philosophy of Science Part A. Dec2014, Vol. 48, p89-96. 8p.

Subject Terms: *QUANTUM chemistry, *COMPUTATIONAL chemistry, *COMPUTER research, *THREE-dimensional imaging, *DENSITY functional theory, *MOLECULAR theory

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