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Showing results 1 to 6 of 6

1
Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules

Choi, Sunghwan; Hong, Kwang-Woo; Kim, Jaewook; Kim, Woo-Youn, JOURNAL OF CHEMICAL PHYSICS, v.142, no.9, pp.094116, 2015-03

2
How can we make stable linear monoatomic chains? Gold-cesium binary subnanowires as an example of a charge-transfer-driven approach to alloying

Choi, YC; Lee, HM; Kim, Woo Youn; Kwon, SK; Nautiyal, T; Cheng, DY; Vishwanathan, K; et al, PHYSICAL REVIEW LETTERS, v.98, no.7, pp.2800 - 2804, 2007-02

3
Spin-orbit density functional theory calculations for heavy metal monohydrides

Choi, YJ; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.119, no.4, pp.2014 - 2019, 2003-07

4
Supersampling method for efficient grid-based electronic structure calculations

Ryu, Seongok; Choi, Sunghwan; Hong, Kwangwoo; Kim, Woo Youn, JOURNAL OF CHEMICAL PHYSICS, v.144, no.9, 2016-03

5
Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: Theory, implementation, and applications to spin-orbit splitting of lower p-block atoms

Kim, Inkoo; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.139, no.13, 2013-10

6
Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential

Kim, In-Koo; Lee, Yoon-Sup, JOURNAL OF CHEMICAL PHYSICS, v.141, no.16, 2014-10

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