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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

Analytical Gradients for Core-Excited States in the Algebraic Diagrammatic Construction (ADC) Framework

Iulia Emilia Brumboiu, Dirk R. Rehn, Andreas Dreuw, Young Min Rhee, Patrick Norman

Version 1 posted 31 May 2021

241

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Theoretical and Computational Chemistry

Working Paper

VeloxChem: GPU-accelerated Fock matrix construction enabling complex polarization propagator simulations of circular dichroism spectra of G-quadruplexes

Xin Li, Mathieu Linares, Patrick Norman

Version 1 posted 05 November 2024

138

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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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Physical Chemistry

Working Paper

Probing Competing Relaxation Pathways in Malonaldehyde with Transient X-Ray Absorption Spectroscopy

Nanna Holmgaard List, Adrian L. Dempwolff, Andreas Dreuw, Patrick Norman, Todd J. Martínez

Version 1 posted 19 February 2020

592

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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

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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Refine Search

7 results in Patrick Norman in Authors: Patrick Norman

Complex Excited State Polarizabilities in the ADC/ISR Framework

Analytical Gradients for Core-Excited States in the Algebraic Diagrammatic Construction (ADC) Framework

VeloxChem: GPU-accelerated Fock matrix construction enabling complex polarization propagator simulations of circular dichroism spectra of G-quadruplexes

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

Probing Competing Relaxation Pathways in Malonaldehyde with Transient X-Ray Absorption Spectroscopy

eChem: A notebook exploration of quantum chemistry

Solving Response Expressions in the ADC/ISR Framework

7 results in Authors: Patrick Norman