Péter G Szalay

24PUBLICATIONS
43CO-AUTHORS
Molecular imaging (incl. electron microscopy and neutron diffraction)Theoretical quantum chemistryEngineering electromagneticsRadiation and matterQuantum computation
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Publications (24)

|May 22, 2026
On the behavior of different contributions to the excitonic coupling at short intermolecular separations.

|May 04, 2026
Low-Lying Excited States of Linear All-Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction.

|Feb 03, 2026
Improved molecular conductance predictions using wavefunction-in-DFT quantum embedding.

Dávid P Jelenfi, Dávid Mester, Attila Tajti

|Oct 31, 2025
Comparison of Theoretical Methods for Predicting Tunneling Rates: The Alanine + Hydrogen Atom Reactions at Low Temperatures.

Dávid P Jelenfi, Anita Schneiker, György Tarczay

|Jul 08, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.

Felix Plasser, Hans Lischka, Ron Shepard

|Apr 01, 2025
Low-lying excited states of linear all-trans polyenes: the σ-π electron correlation and the description of ionic states.

Julio C V Chagas, Luan G F Dos Santos, Reed Nieman

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Frequent Collaborators

16 joint publications

Attila Tajti

5 joint publications

Adélia J A Aquino

4 joint publications

John F Stanton

4 joint publications

Hans Lischka