Assessing the available Density Functional Tight-binding (DFTB) Parameter Set to describe the Electronic Structure of Copper Nanostructures by means of First Principles Density Functional Theory (DFT) calculations
Title
Assessing the available Density Functional Tight-binding (DFTB) Parameter Set to describe the Electronic Structure of Copper Nanostructures by means of First Principles Density Functional Theory (DFT) calculations
Subject
Chemistry
Creator
Paul Whalley
Date
2021
Files
Collection
Citation
Paul Whalley, “Assessing the available Density Functional Tight-binding (DFTB) Parameter Set to describe the Electronic Structure of Copper Nanostructures by means of First Principles Density Functional Theory (DFT) calculations,” URSS SHOWCASE, accessed December 12, 2024, https://urss.warwick.ac.uk/items/show/101.