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Cover image for Simulating Complex Problems in Condensed Matter Physics: From Liquid Water to Dark Matter-Electron Interactions = Simulaciones de problemas complejos en física de materia condensada: desde agua líquida a interacciones entre materia oscura y electrones

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Simulating Complex Problems in Condensed Matter Physics: From Liquid Water to Dark Matter-Electron Interactions = Simulaciones de problemas complejos en física de materia condensada: desde agua líquida a interacciones entre materia oscura y electrones

by

Soto, Adrián, author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10622191

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microscopic interactions with different energy density functionals, shedding light on how to improve them. We

Cover image for Density Functional Theory and Time-Dependent DFT Modeling of Organic Photovoltaic Materials

2.

Density Functional Theory and Time-Dependent DFT Modeling of Organic Photovoltaic Materials

by

Dai, Shuo, author.

http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10689948

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Chapter 2 validated our method. We first tried to find the density functionals that have best

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