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Thomas A Niehaus

3PUBLICATIONS

31CO-AUTHORS

Theoretical quantum chemistryComputational chemistryNumerical solution of differential and integral equations

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Publications (3)

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|Jan 30, 2021

Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.

Daniel C A Valente, Mariana T do Casal, Mario Barbatti

|Apr 04, 2020

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.

B Hourahine, B Aradi, V Blum

|Jan 03, 2019

An efficient approximate algorithm for nonadiabatic molecular dynamics.

Kota Hanasaki, Manabu Kanno, Thomas A Niehaus

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S Ehlert

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J Hermann

Frequent Collaborators

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F Bonafé

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