Elvar Örn Jónsson

11PUBLICATIONS
16CO-AUTHORS
Theoretical quantum chemistryMain group metal chemistryNonlinear optics and spectroscopyChemical thermodynamics and energetics
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Publications (11)

|Mar 24, 2026
Orbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg States.

Gianluca Levi, Max Kroesbergen, Louis Thirion

|Jun 04, 2025
Localized and Delocalized Charge Distribution in a Diamine Cation and Rydberg Excited State: A Challenging Test for Density Functionals.

Benedikt O Birgisson, Marta Gałyńska, Hemanadhan Myneni

|May 20, 2024
Single-Atom Substituents in Copper Surfaces May Adsorb Multiple CO Molecules.

Magnus A H Christiansen, Alejandro Peña-Torres, Elvar Ö Jónsson

|Apr 18, 2024
Evidence of Sharp Transitions between Octahedral and Capped Trigonal Prism States of the Solvation Shell of the Aqueous Fe<sup>3+</sup> Ion.

Amrita Goswami, Alejandro Peña-Torres, Elvar Ö Jónsson

|Dec 15, 2022
New Insights into the Volume Isotope Effect of Ice Ih from Polarizable Many-Body Potentials.

Soroush Rasti, Elvar Örn Jónsson, Hannes Jónsson

|Nov 17, 2022
Transferable Potential Function for Flexible H<sub>2</sub>O Molecules Based on the Single-Center Multipole Expansion.

Elvar Örn Jónsson, Soroush Rasti, Marta Galynska

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