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Showing results 4 to 13 of 13

4
Development of a DFT code using Lagrange-sinc functions as a basis set and its numerical accuracy

Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, 19th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP-XIX), Tamkang University, 2014-11-12

5
Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states

Kim, Jaewook; Hong, Kwang-Woo; Hwang, Sang-Yeon; Ryu, Seongok; Choi, Sunghwan; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, no.15, pp.10177 - 10186, 2017-04

6
Implementation of Lagrange function-based density functional theory and its applications

Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, 10th Triennial Congress of the World Association of Theoretical and Computational Chemists(WATOC 2014), Pontificia Universidad Católica de Chile, 2014-10-07

7
Importance of local exact exchange potential in hybrid functionals for accurate excited states

Kim, Jaewook; Hong, Kwang-Woo; Sungwoo, Kang; LIM, JAE; Hwang, Sang-Yeon; Ryu, Seongok; Choi, Sunghwan; et al, 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Ludwig-Maximilians-Universität (LMU), 2017-08-29

8
Investigation of Chemical Applicability of Lagrange-sinc basis for Density Functional Calculations

Hong, Kwang-Woo; Choi, Sunghwan; Kim, Jaewook; Kim, Woo-Youn, Hands-on Summer School: Electronic Structure Theory for Materials and (Bio)molecules, UCLA Institue for Pure & Applied Mathematics, 2014-07-21

9
Investigation of Lagrange-sinc Function as Basis Set for Density Functional Theory in terms of Chemical Accuracy

Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, Current Topics in Theoretical Chemistry 2014, International academy of quantum molecular science, 2014-08-25

10
Massively Parallelized Evaluation of Orbital Dependent Exchange Potential in Real Space Formula

Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13

11
New way of making initial guess for Iterative Self Consistent Field Procedure in Grid based method

Lim, Jaechang; Choi, Sunghwan; Kang, Sungwoo; Hong, Kwang-Woo; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13

12
Numerical accuracy of Lagrange-sinc basis set for atoms and molecules in density functional calculations

Hong, Kwang-Woo; Choi, Sunghwan; Kim, Jaewook; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13

13
Supersampling double grid method to improve accuracy of real space electronic structure calculation

Ryu, Seongok; Choi, Sunghwan; Hong, Kwang-Woo; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13

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