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Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study.Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases.Accuracy of TD-DFT Geometries: A Fresh LookRange-Separated Double-Hybrid Functional from Nonempirical Constraints
P50
description
hulumtuese
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Marika Savarese
@ast
Marika Savarese
@en
Marika Savarese
@es
Marika Savarese
@nl
Marika Savarese
@sl
type
label
Marika Savarese
@ast
Marika Savarese
@en
Marika Savarese
@es
Marika Savarese
@nl
Marika Savarese
@sl
prefLabel
Marika Savarese
@ast
Marika Savarese
@en
Marika Savarese
@es
Marika Savarese
@nl
Marika Savarese
@sl
P108
P1053
I-2584-2014
P106
P21
P31
P3829
P496
0000-0002-4609-9603
P569
2000-01-01T00:00:00Z