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Physical Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Last 3 years

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Keywords

ionization potential

Authors

3 results in Keywords: ionization potential

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

343

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Theoretical and Computational Chemistry

QCforever: Quantum chemistry for everyone

Masato Sumita, Kei Terayama, Ryo Tamura, Koji Tsuda

Version 1 posted 27 June 2022

359

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Physical Chemistry

Analytical Model for the Molecular Ionization Energy in an External Electric Field

Per-Olof Åstrand

Version 2 posted 28 May 2024

178

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