Péter R. Surján: a festschrift from theoretical chemistry accounts

por Szabados, Ágnes, Kállay, Mihály, Szalay, Péter G
Publicado 2016

Accurate Prediction of Vertical Ionization Potentials and Electron Affinities from Spin-Component Scaled CC2 and ADC(2) Models

por Shaalan Alag, Ahmed, Jelenfi, Dávid P., Tajti, Attila, Szalay, Péter G.
Publicado 2022

Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces

por Barcza, Bónis, Szirmai, Ádám B., Tajti, Attila, Stanton, John F., Szalay, Péter G.
Publicado 2023

A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods

por Kozma, Balázs, Tajti, Attila, Demoulin, Baptiste, Izsák, Róbert, Nooijen, Marcel, Szalay, Péter G.
Publicado 2020

Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N‐heterocycles

por Barcza, Bónis, Szirmai, Ádám B., Szántó, Katalin J., Tajti, Attila, Szalay, Péter G.
Publicado 2022

Performance of Multilevel Methods for Excited States

por Hégely, Bence, Szirmai, Ádám B., Mester, Dávid, Tajti, Attila, Szalay, Péter G., Kállay, Mihály
Publicado 2022