Towards Systematic Improvement of Density Functional Approximations

Towards Systematic Improvement of Density Functional Approximations

<p>Density functional theory is a formally exact theory to describe ground state properties due to the existence of the exact functional. In practice, the usefulness of density functional theory relies on the accuracy of density functional approximations. After decades of effort of functional...

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Bibliographic Details
Main Author: Li, Chen
Other Authors: Yang, Weitao
Published: 2016
Subjects:
Chemistry
density functional approximations
density functional theory
fractional formulation
gentlest ascent dynamics
localized orbital scaling correction
local scaling correction
Online Access:http://hdl.handle.net/10161/13420

Internet

http://hdl.handle.net/10161/13420

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