Efficient Implementation of Time-Dependent Density Functional-Based Tight-Bind Method on Multi-Core and GPU System | Communications in Computational Chemistry

Efficient Implementation of Time-Dependent Density Functional-Based Tight-Bind Method on Multi-Core and GPU System

Authors

Guo-Hong Fan & Ke-Li Han

DOI:

https://doi.org/10.4208/cicc.2013.v1.n2.3

Keywords:

Density functional theory, tight‐bind method, DFT, TDDFT, DFTB, TD‐DFTB, GPU.

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Published

2013-01-01

Issue

Vol. 1 No. 2 (2013)

Section

Articles