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Electronic excitation of ethanol by low-energy electron impact
Alan Guilherme Falkowski
,
Marco Lima
,
Fábris Kossoski
Article dans une revue
hal-03518899v1
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State-Specific Coupled-Cluster Methods for Excited States
Yann Damour
,
Anthony Scemama
,
Denis Jacquemin
,
Fábris Kossoski
,
Pierre-Francois Loos
2024
Pré-publication, Document de travail
hal-04387158v1
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State-Specific Configuration Interaction for Excited States
Fábris Kossoski
,
Pierre-François Loos
Article dans une revue
hal-03843259v1
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Reference Vertical Excitation Energies for Transition Metal Compounds
Denis Jacquemin
,
Fábris Kossoski
,
Franck Gam
,
Martial Boggio-Pasqua
,
Pierre-François Loos
Article dans une revue
hal-04224542v1
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Electronic excitation of benzene by low energy electron impact and the role of higher lying Rydberg states
Alan Guilherme Falkowski
,
Romarly F. da Costa
,
Fábris Kossoski
,
Michael Brunger
,
Lima A.P. Marco
Article dans une revue
hal-03522444v1
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Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles
Mario Barbatti
,
Mattia Bondanza
,
Rachel Crespo-Otero
,
Baptiste Demoulin
,
Pavlo O Dral
,
et al.
Article dans une revue
hal-03797941v1
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Electron driven reactions in sulphur containing analogues of uracil: the case of 2-thiouracil
J. Kopyra
,
H. Abdoul-Carime
,
F. Kossoski
,
M. T. Do N. Varella
Article dans une revue
in2p3-01342577v1
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Excited States of Bromopyrimidines Probed by VUV Photoabsorption Spectroscopy and Theoretical Calculations
Mónica Mendes
,
Fábris Kossoski
,
Ana I. Lozano
,
João Pereira-Da-Silva
,
Rodrigo Rodrigues
,
et al.
Article dans une revue
hal-03281165v1
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Variational coupled cluster for ground and excited states
Antoine Marie
,
Fábris Kossoski
,
Pierre-Francois Loos
Article dans une revue
hal-03266632v1
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Cross sections for elastic electron scattering by benzene at low and intermediate energies
Alexi de A. Cadena
,
Alan Falkowski
,
Ronald Pocoroba
,
Regan Jones
,
Mahak Mathur
,
et al.
Article dans une revue
hal-03923809v1
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Nonadiabatic dynamics in multidimensional complex potential energy surfaces †
Fábris Kossoski
,
Mario Barbatti
Article dans une revue
hal-02931944v1
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Accurate full configuration interaction correlation energy estimates for five- and six-membered rings
Yann Damour
,
Mickaël Véril
,
Fábris Kossoski
,
Michel Caffarel
,
Denis Jacquemin
,
et al.
Article dans une revue
hal-03315299v1
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Ground-and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality
Yann Damour
,
Raúl Quintero-Monsebaiz
,
Michel Caffarel
,
Denis Jacquemin
,
Fábris Kossoski
,
et al.
Article dans une revue
hal-03844802v1
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How does methylation suppress the electron-induced decomposition of 1-methyl-nitroimidazoles?
F. Kossoski
,
M. T. Do N. Varella
Article dans une revue
hal-01774246v1
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The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry
Hans Lischka
,
Ron Shepard
,
Thomas Müller
,
Peter G. Szalay
,
Russell M Pitzer
,
et al.
Article dans une revue
hal-02612344v1
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Nuclear Ensemble Approach with Importance Sampling
Fábris Kossoski
,
Mario Barbatti
Journal of Chemical Theory and Computation, 2018, 14 (6), pp.3173-3183
Article dans une revue
hal-01965459v1
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Hierarchy Configuration Interaction: Combining Seniority Number and Excitation Degree
Fábris Kossoski
,
Yann Damour
,
Pierre-Francois Loos
Article dans une revue
hal-03607673v1
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Go Green: Selected Configuration Interaction as a More Sustainable Alternative for High Accuracy
Pierre-Francois Loos
,
Yann Damour
,
Abdallah Ammar
,
Michel Caffarel
,
Fábris Kossoski
,
et al.
2024
Pré-publication, Document de travail
hal-04470263v1
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Seniority and Hierarchy Configuration Interaction for Radicals and Excited States
Fábris Kossoski
,
Pierre-François Loos
Article dans une revue
hal-04189859v1
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Excited States From State Specific Orbital Optimized Pair Coupled Cluster
Fábris Kossoski
,
Antoine Marie
,
Anthony Scemama
,
Michel Caffarel
,
Pierre-Francois Loos
Article dans une revue
hal-03193676v2
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Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers
Ana Lozano
,
Lidia Álvarez
,
Adrián García-Abenza
,
Carlos Guerra
,
Fábris Kossoski
,
et al.
Article dans une revue
hal-04202646v1
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On-the-fly dynamics simulations of transient anions
F. Kossoski
,
M. T. Do N. Varella
,
M. Barbatti
Article dans une revue
hal-02612332v1
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Transient anion spectra of the potential radiosensitizers 5-cyanateuracil and 5-thiocyanateuracil
L. M. Cornetta
,
F. Kossoski
,
M. T. Do N. Varella
Article dans une revue
hal-01774188v1
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Anion states of halocamphor molecules: insights into chirally sensitive dissociative electron attachment
Julio C. Ruivo
,
Fábris Kossoski
,
Marcio T Do N. Varella
Article dans une revue
hal-03340304v1
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Electron impact electronic excitation of benzene: Theory and experiment
Alan Falkowski
,
Romarly da Costa
,
Marco Lima
,
Alexi de A. Cadena
,
Ronald Pocoroba
,
et al.
Article dans une revue
hal-04429491v1
|
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Reference Energies for Double Excitations: Improvement and Extension
Fábris Kossoski
,
Martial Boggio-Pasqua
,
Pierre-François Loos
,
Denis Jacquemin
2024
Pré-publication, Document de travail
hal-04526063v1
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