Towards an efficient ab-initio description of environment effects: Solvatochromic shifts from coupled-cluster theory embedded in density-functional theory - Archive ouverte HAL Access content directly
Poster Communications Year : 2012

Towards an efficient ab-initio description of environment effects: Solvatochromic shifts from coupled-cluster theory embedded in density-functional theory

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hal-01273515 , version 1 (12-02-2016)

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  • HAL Id : hal-01273515 , version 1

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Sebastian Höfener, Andre Severo Pereira Gomes, Lucas Visscher. Towards an efficient ab-initio description of environment effects: Solvatochromic shifts from coupled-cluster theory embedded in density-functional theory. 14th ICQC (International Conference of Quantum Chemistry), Jun 2012, Boulder, United States. , 2012. ⟨hal-01273515⟩
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