List of works - Thomas Fransson

Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory

scientific article published on 9 April 2012

Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

scientific article published in March 2013

Complex excited state polarizabilities in the ADC/ISR framework

scientific article published on 01 August 2020

Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers

scientific article

Four-Component Damped Density Functional Response Theory Study of UV/Vis Absorption Spectra and Phosphorescence Parameters of Group 12 Metal-Substituted Porphyrins

scientific article published on 15 March 2016

Gator: A Python‐driven program for spectroscopy simulations using correlated wave functions

scientific article published in 2021

K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory

scientific article published on 03 May 2016

Quantifying the error of the core-valence separation approximation

scientific article published on 01 August 2020

Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water

scientific article published in April 2018

Requirements of first-principles calculations of X-ray absorption spectra of liquid water.

scientific article published on 30 November 2015

Simulating X-ray Emission Spectroscopy with Algebraic Diagrammatic Construction Schemes for the Polarization Propagator

scientific article published on 23 December 2018

Structure of photosystem II and substrate binding at room temperature.

scientific article

Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism

scientific article published on 20 May 2020

X-ray Emission Spectroscopy as an in Situ Diagnostic Tool for X-ray Crystallography of Metalloproteins Using an X-ray Free-Electron Laser

scientific article published on 28 June 2018

X-ray and Electron Spectroscopy of Water.

scientific article published on 31 May 2016

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

scientific article published on 06 February 2021

XANES and EXAFS of dilute solutions of transition metals at XFELs

scientific article published on 07 August 2019

List of works by Thomas Fransson