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6 results in Keywords: ADC(2)

Theoretical and Computational Chemistry

Working Paper

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

354

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Theoretical and Computational Chemistry

Working Paper

A Computational Protocol to Predict Anti-Kasha Emissions: The Case of Azulene Derivatives

Koen Veys, Daniel Escudero

Version 1 posted 05 June 2020

503

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Physical Chemistry

Working Paper

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

417

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Physical Chemistry

Working Paper

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

593

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Citations

Physical Chemistry

Working Paper

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

242

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Physical Chemistry

Working Paper

Interpretation of Molecular Electron Transport in Ab Initio Many-Electron Framework Incorporating Zero-point Nuclear Motion Effects

Dávid P. Jelenfi, Attila Tajti, Péter G. Szalay

Version 3 posted 26 December 2023

253

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6 results in ADC(2) in Keywords: ADC(2)

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

A Computational Protocol to Predict Anti-Kasha Emissions: The Case of Azulene Derivatives

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

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

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

Interpretation of Molecular Electron Transport in Ab Initio Many-Electron Framework Incorporating Zero-point Nuclear Motion Effects

6 results in Keywords: ADC(2)