Search Results - "density functional theory"
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141
Long Time Behavior of Time-Dependent Density Functional Theory.
Published 2018Full Text (via OSTI)
Government Document Electronic eBook -
142
Density Functional Theory (DFT) Simulations of Shocked Liquid Xenon.
Published 2009Online Access
Government Document Electronic eBook -
143
Density Functional Theory (DFT) Simulations of Shocked Liquid Xenon.
Published 2009Online Access
Government Document Electronic eBook -
144
Towards a Density Functional Theory exchange-correlation functional for.
Published 2015Online Access
Government Document Electronic eBook -
145
Representing the thermal state in time-dependent density functional theory
Published 2015Online Access
Government Document Electronic eBook -
146
Density Functional Theory (DFT) simulations of porous tantalum pentoxide.
Published 2013Online Access
Government Document Electronic eBook -
147
Representing the Thermal State in Time-Dependent Density Functional Theory.
Published 2013Online Access
Government Document Electronic eBook -
148
Density functional theory for d- and f-electron materials and compounds
Published 2016Online Access (via OSTI)
Government Document Electronic eBook -
149
Thermodynamics of Uranium Tri-Iodide from Density-Functional Theory
Published 2020Full Text (via OSTI)
Government Document Electronic eBook -
150
Density Functional Theory Calculations of Mass Transport in UO2
Published 2012Online Access
Government Document Electronic eBook -
151
Density functional theory study of mercury adsorption on metal surfaces
Published 2008Online Access
Government Document Electronic eBook -
152
Density-functional-theory study of the Ga split-interstitial in GaAs
Published 2014Online Access (via OSTI)
Government Document Electronic eBook -
153
Simulating Warm Dense Matter using Density Functional Theory
Published 2015Online Access
Government Document Electronic eBook -
154
Multiphase aluminum equations of state via density functional theory
Published 2016Online Access (via OSTI)
Government Document Electronic eBook -
155
Density functional theory study of defects in unalloyed δ-Pu
Published 2017Online Access (via OSTI)
Government Document Electronic eBook -
156
Density functional theory studies of HCOOH decomposition on Pd(111)
Published 2015Full Text (via OSTI)
Government Document Electronic eBook -
157
What Density Functional Theory could do for Quantum Information.
Published 2015Online Access
Government Document Electronic eBook -
158
Conceptual density functional theory and its application in the chemical domain /
Published 2018Table of Contents: “…chapter 2 Density Functional Theory for Chemical Reactivity /…”
Full Text (via Taylor & Francis)
eBook
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159
Exact thermal density functional theory for a model system Correlation components and accuracy of the zero-temperature exchange-correlation approximation.
Published 2016Online Access (via OSTI)
Government Document Electronic eBook -
160
Density Functional Theory (DFT) research at Sandia National Laboratories from exchange-correlation functionals to a broad range of applications.
Published 2010Full Text (via OSTI)
Government Document Electronic eBook