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10 results in Authors: Marta L Vidal

Theoretical and Computational Chemistry

Working Paper

Equation-of-Motion Coupled-Cluster Theory to Model L-edge X-Ray Absorption and Photoelectron Spectra

Marta L. Vidal, Pavel Pokhilko, Anna Krylov, Sonia Coriani

Version 1 posted 02 July 2020

411

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Theoretical and Computational Chemistry

Working Paper

Dyson Orbitals within the fc-CVS-EOM-CCSD Framework: Theory and Application to X-ray Photoelectron Spectroscopy of Ground and Excited States

Marta L. Vidal, Anna Krylov, Sonia Coriani

Version 2 posted 02 October 2019

981

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Citations

Physical Chemistry

Working Paper

Table-Top X-ray Spectroscopy of Benzene Radical Cation

Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Marta L. Vidal, Anna Krylov, Sonia Coriani, Stephen Leone

Version 1 posted 13 August 2020

542

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Physical Chemistry

Review

Signatures of the Bromine Atom and Open-Shell Spin-Coupling in the X-ray Spectrum of Bromobenzene Cation

Michael Epshtein, Bruno Nunes Cabral Tenorio, Marta L Vidal, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Anna I. Krylov, Sonia Coriani, Stephen R. Leone

Version 1 posted 22 November 2022

161

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Theoretical and Computational Chemistry

Working Paper

A New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States

Marta L. Vidal, Xintian Feng, Evgeny Epifanovsky, Anna Krylov, Sonia Coriani

Version 3 posted 15 February 2019

1,204

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Theoretical and Computational Chemistry

Working Paper

On the Basis Set Selection for Calculations of Core-Level States: Different Strategies to Balance Cost and Accuracy

Ronit Sarangi, Marta L. Vidal, Sonia Coriani, Anna Krylov

Version 1 posted 06 April 2020

556

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Physical Chemistry

Working Paper

XABOOM: An X-Ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π ∗ Transitions

Thomas Fransson, Iulia Emilia Brumboiu, Marta L. Vidal, Patrick Norman, Sonia Coriani, Andreas Dreuw

Version 2 posted 18 January 2021

763

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Physical Chemistry

Working Paper

The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

Marta L. Vidal, Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Stephen Leone, Anna I. Krylov, Sonia Coriani

Version 2 posted 25 September 2020

679

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Theoretical and Computational Chemistry

Working Paper

How to Stay out of Trouble in RIXS Calculations Within Equation-of-Motion Coupled-Cluster Damped Response Theory? Safe Hitchhiking in the Excitation Manifold by Means of Core-Valence Separation

Kaushik Nanda, Marta L. Vidal, Rasmus Faber, Sonia Coriani, Anna Krylov

Version 2 posted 11 September 2019

688

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Theoretical and Computational Chemistry

Working Paper

Nitrogen K-edge X-ray absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

Peter Reinholdt, Marta L. Vidal, Jacob Kongsted, Marcella Iannuzzi, Sonia Coriani, Michael Odelius

Version 1 posted 25 June 2021

295

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10 results in Marta L Vidal in Authors: Marta L Vidal

Equation-of-Motion Coupled-Cluster Theory to Model L-edge X-Ray Absorption and Photoelectron Spectra

Dyson Orbitals within the fc-CVS-EOM-CCSD Framework: Theory and Application to X-ray Photoelectron Spectroscopy of Ground and Excited States

Table-Top X-ray Spectroscopy of Benzene Radical Cation

Signatures of the Bromine Atom and Open-Shell Spin-Coupling in the X-ray Spectrum of Bromobenzene Cation

A New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States

On the Basis Set Selection for Calculations of Core-Level States: Different Strategies to Balance Cost and Accuracy

XABOOM: An X-Ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π ∗ Transitions

The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

How to Stay out of Trouble in RIXS Calculations Within Equation-of-Motion Coupled-Cluster Damped Response Theory? Safe Hitchhiking in the Excitation Manifold by Means of Core-Valence Separation

Nitrogen K-edge X-ray absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

10 results in Authors: Marta L Vidal