about
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments.Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra.Vibronic Effects on Rates of Excitation Energy Transfer and Their Temperature Dependence.General Time Dependent Approach to Vibronic Spectroscopy Including Franck-Condon, Herzberg-Teller, and Duschinsky Effects.New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra.Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3](2+) as a case studyEffective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route.A general time-dependent route to resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects.Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches.General formulation of vibronic spectroscopy in internal coordinates.The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations.A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene.A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene.Vibrational Density Matrix Renormalization Group.Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation.Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene.Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations.Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene.Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment.Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods.Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach.Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations.Computational simulation of vibrationally resolved spectra for spin-forbidden transitions.Time-dependent formulation of Resonance Raman Optical Activity spectroscopyImplementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw toolThe ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computationsOptimization of highly excited matrix product states with an application to vibrational spectroscopyVirtual Eyes Designed for Quantitative Spectroscopy of Inorganic Complexes: Vibronic Signatures in the Phosphorescence Spectra of Terpyridine DerivativesThe density matrix renormalization group in chemistry and molecular physics: Recent developments and new challengesTheory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridineNuclear-electronic all-particle density matrix renormalization groupModern quantum chemistry with [Open]Molcas
P50
Q38024671-9F9145D4-04ED-487C-89E5-AFF919CA7CAEQ38776889-1A372C31-4A05-4C20-BEFF-13280E846275Q39882038-D0651038-AD2E-450A-A46B-919FAAB2C6BBQ40291494-8735AC74-6F62-4E9D-BF7D-93D095C53019Q41836034-8C274BEF-1B9B-494B-BCC5-4E5CCA6BBB8CQ42144968-507F0773-9D1C-4C11-8992-1837A2FE13EFQ42379417-097E6616-500E-441E-98A2-F8BCEF87F5ADQ43217316-7AAB16DB-D24A-4BB8-AB32-3E449157FC1BQ47093504-2E6B2FDD-23DF-42F6-886F-CE08C8155043Q47122396-4A100E04-5AAF-4CC4-BF91-9671101DE3C2Q47717254-266EE078-B816-45D5-9E4E-42DAC948A6F0Q47857453-4F91ACE6-9D13-4F8F-BE4F-02A2F1AE7056Q47954888-FA1D33AF-A7DA-471F-BABB-4663CDDDA497Q48173474-D2727A5F-11A0-45F3-8270-E7A177703A47Q49498889-A0E6DD20-1D85-4919-9807-AA27D1C29CAFQ50634774-051F5F6F-FDD7-4F77-9D32-A9AD1196DDF2Q50782491-7C1189A2-1CE6-471C-9AEA-20944ED4AC19Q53132868-9E3B36B0-F8DB-4A97-828C-C9224FD59512Q53182836-E6F797FC-36B7-465C-9437-9F00143B49D8Q53244273-7D49D6B4-D49D-4565-B94A-785A7657C88EQ53281308-442FEFD2-192C-4C4D-86ED-B1FAB2DB0FF9Q53550613-3BC1448C-DC57-4CBF-A97A-5649B4B27EB7Q55399866-770780A4-9548-456D-988E-3B65FB8D5852Q57037703-6F4717BE-9315-4082-B523-E8B05434FE0AQ61068433-510B70EE-24A1-491C-B535-E9A811609952Q61068435-E336219C-0E12-4059-80ED-96DA014D98BDQ62101871-CE37157B-E6FB-4DB2-BCCA-3A5CFA15D152Q86040861-A540F83F-FFD4-471B-B375-1BFE59353A20Q89480321-C3F16729-B40F-4DF8-9365-368117F4981DQ90420721-DE335443-E00E-41B2-873F-45765F007B96Q96119203-C7C868BE-0907-4AFC-99E2-298AEF72AA22Q96156064-FAF0D023-2DFB-4A31-B4F0-CCA97213385F
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Alberto Baiardi
@ast
Alberto Baiardi
@en
Alberto Baiardi
@es
Alberto Baiardi
@nl
Alberto Baiardi
@sl
type
label
Alberto Baiardi
@ast
Alberto Baiardi
@en
Alberto Baiardi
@es
Alberto Baiardi
@nl
Alberto Baiardi
@sl
prefLabel
Alberto Baiardi
@ast
Alberto Baiardi
@en
Alberto Baiardi
@es
Alberto Baiardi
@nl
Alberto Baiardi
@sl
P106
P108
P1153
55346143100
P21
P31
P496
0000-0001-9112-8664