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Chemical Education

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Physical Chemistry

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Theoretical and Computational Chemistry

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Thomas Fransson

6 results in Authors: Thomas Fransson

Chemical Education

eChem: A notebook exploration of quantum chemistry

Thomas Fransson, Mickael Delcey, Iulia Brumboiu, Manuel Hodecker, Xin Li, Zilvinas Rinkevicius, Andreas Dreuw, Young Min Rhee, Patrick Norman

1,328

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Physical Chemistry

XABOOM: An X-Ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π ∗ Transitions

Thomas Fransson, Iulia Emilia Brumboiu, Marta L. Vidal, Patrick Norman, Sonia Coriani, Andreas Dreuw

726

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Theoretical and Computational Chemistry

Complex Excited State Polarizabilities in the ADC/ISR Framework

Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R. Rehn

516

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Theoretical and Computational Chemistry

Solving Response Expressions in the ADC/ISR Framework

Maximilian Scheurer, Antonia Papapostolou, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk Rehn

101

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Theoretical and Computational Chemistry

Using core-hole reference states for calculating X-ray photoelectron and emission spectra

Andreas Dreuw, Thomas Fransson

209

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Theoretical and Computational Chemistry

Core-hole delocalization for modeling X-ray spectroscopies: A cautionary tale

Iulia Brumboiu, Thomas Fransson

223

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