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Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding (2019)

First Author: Dawson W

Attributed to: Multi-Scale Framework for Quantum Mechanical Simulations of Organic Electronics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.1911.08699

Publication URI: https://arxiv.org/abs/1911.08699

Type: Other