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List of works by Alberto Baiardi

A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene.

scientific article published in February 2017

A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene.

scientific article published in May 2017

A general time-dependent route to resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects

scientific article published in September 2014

Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach

scientific article published in June 2015

Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3](2+) as a case study

scientific article published on December 2014

Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra

scientific article published on 18 May 2017

Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene.

scientific article published in May 2016

Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene.

scientific article published in March 2016

Computational simulation of vibrationally resolved spectra for spin-forbidden transitions.

scientific article

Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route.

scientific article published on 28 April 2017

Electron Dynamics with the Time-Dependent Density Matrix Renormalization Group

scientific article published on 27 May 2021

Excited-State DMRG Made Simple with FEAST

scientific article published on 16 December 2021

Explicitly Correlated Electronic Structure Calculations with Transcorrelated Matrix Product Operators

scientific article published on 06 June 2022

General Time Dependent Approach to Vibronic Spectroscopy Including Franck-Condon, Herzberg-Teller, and Duschinsky Effects

scientific article published on 27 August 2013

General formulation of vibronic spectroscopy in internal coordinates

scientific article published in February 2016

Hardware efficient quantum algorithms for vibrational structure calculations

scientific article published on 11 June 2020

Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments.

scientific article published on 06 July 2012

Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool

scientific article published on 18 November 2014

Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations.

scientific article published in October 2015

Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations.

scientific article published in April 2015

Modern quantum chemistry with [Open]Molcas

scientific article published on 01 June 2020

New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra.

scientific article published on 17 May 2014

Nuclear-electronic all-particle density matrix renormalization group

scientific article published on 01 May 2020

Optimization of highly excited matrix product states with an application to vibrational spectroscopy

scientific article published on 7 March 2019

Quantum Proton Effects from Density Matrix Renormalization Group Calculations

scientific article published on 03 January 2022

Simplified State Interaction for Matrix Product State Wave Functions

scientific article published on 03 December 2021

Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches.

scientific article published on 3 May 2017

Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods

scientific article published on 8 January 2016

The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry

scientific article published in 2023

The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges

scientific article published on 01 January 2020

The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations.

scientific article

The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations

scientific article published on 01 April 2015

Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine

scientific article published on 01 September 2019

Time-dependent formulation of Resonance Raman Optical Activity spectroscopy

scientific article published on 09 November 2018

Transcorrelated density matrix renormalization group

scientific article published on 01 October 2020

Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation

scientific article published on 30 November 2017

Vibrational Density Matrix Renormalization Group

scientific article

Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment

scientific article published in November 2015

Vibronic Effects on Rates of Excitation Energy Transfer and Their Temperature Dependence.

scientific article

Virtual Eyes Designed for Quantitative Spectroscopy of Inorganic Complexes: Vibronic Signatures in the Phosphorescence Spectra of Terpyridine Derivatives

scientific article published on 04 December 2014

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