Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules
Author:
Affiliation:
1. Department of Chemistry, KAIST, 291 Daehak-ro, Yuseong-gu, Daejeon 305-701, Korea
Funder
National Research Foundation of Korea (NRF)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4913569
Reference71 articles.
1. Perspective on density functional theory
2. TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
3. Approximate density functional theory as a practical tool in molecular energetics and dynamics
4. Theoretical Approaches to Excited-State-Related Phenomena in Oxide Surfaces
5. The calculations of excited-state properties with Time-Dependent Density Functional Theory
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