Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions

By Ville Havu, Volker Blum, Paula Havu, Matthias Scheffler. Journal of Computational Physics, 2009

528 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/b852fbb24fc47ab788bff74ab9b71e3a201dbab7

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Zhen Zhou
2. An Chen
3. Xu Zhang

In Electrical and Electronic Engineering

1. Zhen Zhou
2. Xu Zhang

In Materials Chemistry

1. Xu Zhang
2. Zhen Zhou
3. An Chen

Citations in the corpus

• Machine learning: Accelerating materials development for energy storage and conversion (2020, background): “With state-of-the-art supercomputers and algorithms, researchers can calculate compounds with thousands of interacting ions and electrons on basis of QM methods.(12,13) However, the high computational cost of QM-based methods limits the applications to large-scale complex systems.”