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## Large-scale calculations
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ACE-Molecule mainly targets large-scale calculations. You can refer [parallelizaiton test issue page](https://gitlab.com/aceteam.kaist/ACE-Molecule/issues/47)
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## Numerical Approach
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## excited state calculations
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Various excited state methods are implemented. (e.g. TDDFT, CIS, etc) Following list contains our previous works
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* [TDDFT w/ hybrid functional](http://pubs.rsc.org/en/content/articlehtml/2017/cp/c7cp00704c)
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* [TDDFT w/ range-separated functional](https://www.sciencedirect.com/science/article/pii/S001046551830122X)
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# Numerical Approaches
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## Real-space method
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ACE-Molecule package support two different stencil based approaches (Sinc basis set expansion, finite-difference method). For more details, please refer [this paper](https://aip.scitation.org/doi/abs/10.1063/1.4913569)
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## Pseudopotential and PAW
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You may refer [this paper](https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.25106)
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# Density Functional Theory
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The primary goal of this program is to calculate molecular system within Density Functional Theory
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# DFT-CI
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Ordinary DFT method contain several well-known problems. In order to solve them,
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# TODO list
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