Vidal ML - Search Results

1

Correction: Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states.

Vidal ML, Krylov AI, Coriani S. Vidal ML, et al. Phys Chem Chem Phys. 2020 Feb 14;22(6):3744-3747. doi: 10.1039/d0cp90012e. Epub 2020 Jan 31. Phys Chem Chem Phys. 2020. PMID: 32002527

2

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

Vidal ML, Feng X, Epifanovsky E, Krylov AI, Coriani S. Vidal ML, et al. J Chem Theory Comput. 2019 May 14;15(5):3117-3133. doi: 10.1021/acs.jctc.9b00039. Epub 2019 May 1. J Chem Theory Comput. 2019. PMID: 30964297

3

Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations.

Tsuru S, Vidal ML, Pápai M, Krylov AI, Møller KB, Coriani S. Tsuru S, et al. Among authors: vidal ml. J Chem Phys. 2019 Sep 28;151(12):124114. doi: 10.1063/1.5115154. J Chem Phys. 2019. PMID: 31575192

4

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.

Nanda KD, Vidal ML, Faber R, Coriani S, Krylov AI. Nanda KD, et al. Among authors: vidal ml. Phys Chem Chem Phys. 2020 Feb 7;22(5):2629-2641. doi: 10.1039/c9cp03688a. Epub 2019 Oct 10. Phys Chem Chem Phys. 2020. PMID: 31599295

5

Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states.

Vidal ML, Krylov AI, Coriani S. Vidal ML, et al. Phys Chem Chem Phys. 2020 Feb 7;22(5):2693-2703. doi: 10.1039/c9cp03695d. Epub 2019 Nov 7. Phys Chem Chem Phys. 2020. PMID: 31696165

6

Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical.

Kjellsson L, Nanda KD, Rubensson JE, Doumy G, Southworth SH, Ho PJ, March AM, Al Haddad A, Kumagai Y, Tu MF, Schaller RD, Debnath T, Bin Mohd Yusof MS, Arnold C, Schlotter WF, Moeller S, Coslovich G, Koralek JD, Minitti MP, Vidal ML, Simon M, Santra R, Loh ZH, Coriani S, Krylov AI, Young L. Kjellsson L, et al. Among authors: vidal ml. Phys Rev Lett. 2020 Jun 12;124(23):236001. doi: 10.1103/PhysRevLett.124.236001. Phys Rev Lett. 2020. PMID: 32603165

7

Correction: 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.

Nanda KD, Vidal ML, Faber R, Coriani S, Krylov AI. Nanda KD, et al. Among authors: vidal ml. Phys Chem Chem Phys. 2020 Aug 21;22(31):17749. doi: 10.1039/d0cp90174a. Epub 2020 Jul 30. Phys Chem Chem Phys. 2020. PMID: 32808952

8

Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra.

Vidal ML, Pokhilko P, Krylov AI, Coriani S. Vidal ML, et al. J Phys Chem Lett. 2020 Oct 1;11(19):8314-8321. doi: 10.1021/acs.jpclett.0c02027. Epub 2020 Sep 18. J Phys Chem Lett. 2020. PMID: 32897075

9

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

Vidal ML, Epshtein M, Scutelnic V, Yang Z, Xue T, Leone SR, Krylov AI, Coriani S. Vidal ML, et al. J Phys Chem A. 2020 Nov 19;124(46):9532-9541. doi: 10.1021/acs.jpca.0c08732. Epub 2020 Oct 26. J Phys Chem A. 2020. PMID: 33103904 Free article.

10

Table-Top X-ray Spectroscopy of Benzene Radical Cation.

Epshtein M, Scutelnic V, Yang Z, Xue T, Vidal ML, Krylov AI, Coriani S, Leone SR. Epshtein M, et al. Among authors: vidal ml. J Phys Chem A. 2020 Nov 19;124(46):9524-9531. doi: 10.1021/acs.jpca.0c08736. Epub 2020 Oct 27. J Phys Chem A. 2020. PMID: 33107734 Free article.

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