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Improvements for the functional accuracy and scalability of double hybrid density functional calculations using adiabatic connection and density matrix purification = 단열연결과 전자밀도행렬 정제화를 이용한 이중혼성밀도범함수 계산의 범함수 정확도와 확장성 향상link Kim, Jaehoon; 김재훈; et al, 한국과학기술원, 2016 |
Inclusion behavior of Cs, Sr, and Ba impurities in LiCl crystal formed by layer-melt crystallization: Combined first-principles calculation and experimental study Choi, Jung-Hoon; Cho, Yung-Zun; Lee, Tae-Kyo; Eun, Hee-Chul; Kim, Jun-Hong; Kim, In-Tae; Park, Geun-Il; et al, JOURNAL OF CRYSTAL GROWTH, v.371, pp.84 - 89, 2013-05 |
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