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7 results in Authors: Thomas Fransson

Theoretical and Computational Chemistry

Working Paper

TDDFT and the X-ray absorption spectrum of liquid water: finding the “best” functional

Thomas Fransson, Lars Pettersson

Version 1 posted 26 March 2024

162

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Theoretical and Computational Chemistry

Working Paper

Complex Excited State Polarizabilities in the ADC/ISR Framework

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

Version 2 posted 14 May 2020

587

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Physical Chemistry

Working Paper

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

Version 2 posted 18 January 2021

814

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Theoretical and Computational Chemistry

Working Paper

Solving Response Expressions in the ADC/ISR Framework

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

Version 1 posted 23 December 2022

188

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Chemical Education

Working Paper

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

Version 3 posted 13 February 2023

1,625

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Theoretical and Computational Chemistry

Working Paper

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

Andreas Dreuw, Thomas Fransson

Version 2 posted 03 March 2022

265

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Theoretical and Computational Chemistry

Working Paper

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

Iulia Brumboiu, Thomas Fransson

Version 2 posted 13 May 2022

327

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7 results in Thomas Fransson in Authors: Thomas Fransson

TDDFT and the X-ray absorption spectrum of liquid water: finding the “best” functional

Complex Excited State Polarizabilities in the ADC/ISR Framework

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

Solving Response Expressions in the ADC/ISR Framework

eChem: A notebook exploration of quantum chemistry

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

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

7 results in Authors: Thomas Fransson