Improvement of initial guess via grid-cutting for efficient grid-based density functional calculations-Reference-Cited by-同舟云学术

Improvement of initial guess via grid-cutting for efficient grid-based density functional calculations

Published:2016-06-30 Issue:19 Volume:116 Page:1397-1403
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Lim Jaechang¹,Choi Sunghwan¹²,Kang Sungwoo¹,Kim Jaewook¹,Hong Kwangwoo¹,Kim Woo Youn¹

Affiliation:

1. Department of Chemistry; KAIST; 291 Daehak-ro, Yuseong-gu Daejeon 34141 Republic of Korea

2. National Institute of Supercomputing and Networking, Korea Institute of Science and Technology Information; 245 Daehak-ro, Yuseong-gu Daejeon 34141 Republic of Korea

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference34 articles.

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5. IntroducingONETEP: Linear-scaling density functional simulations on parallel computers

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