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Organic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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CC2

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5 results in Keywords: CC2

Organic Chemistry

Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches

carmelo Naim, Frédéric Castet, Eduard Matito

Version 1 posted 07 June 2021

287

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Theoretical and Computational Chemistry

Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces

Attila Tajti, Levente Tulipan, Péter Szalay

Version 1 posted 30 October 2019

369

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Physical Chemistry

Improved Description of Charge Transfer Potential Energy Surfaces via Spin-Component Scaled CC2 and ADC(2) Methods

Attila Tajti, Balázs Kozma, Péter Szalay

Version 2 posted 25 November 2020

429

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Physical Chemistry

Accurate prediction of vertical ionization potentials and electron affinities from spin-component scaled CC2 and ADC(2) models

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

Version 2 posted 29 September 2022

289

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Physical Chemistry

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

Balázs Kozma, Attila Tajti, Baptiste Demoulin, Róbert Izsák, Marcel Nooijen, Péter Szalay

Version 1 posted 18 February 2020

615

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1

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