Change In Moment Research Articles

Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates

Changes in the work function provide a fingerprint to characterize analyte binding in charge transfer-based sensor devices. Hence, a rational sensor design requires a fundamental understanding of the microscopic factors controlling the modification of the work function. In the current investigation, we address the mechanisms behind the work function change (WFC) for the adsorption of four common volatile organic compounds (toluene, ethanol, 2-Furfurylthiol, and guaiacol) on different nitrogen-doped graphene-based 2D materials using density functional theory. We show that competition between the surface dipole moment change induced by spatial charge redistribution, the one induced by the pure adsorbate, and the one caused by the surface deformation can quantitatively predict the work function change. Furthermore, we also show this competition can explain the non-growing work function change behavior in the increasing concentrations of nitrogen-doped graphenes. Finally, we propose possible design principles for WFC of VOCs interacting with N-doped graphene materials.

DFT calculations with and without spin polarization of the adsorption and decomposition of NCO and OCN on the Ag(110) surface

The adsorption of C, N, O, CO, CN, NCO and OCN, as well as the decomposition of NCO and OCN on the Ag(110) surface were studied using the density functional theory (DFT) with and without spin polarization combined with the periodic slab model, at a 0.25 ML coverage. Adsorption energy, preferred adsorption site, structural parameters, diffusion barrier of each species were determined. Work function and dipole moment changes of the Ag(110) surface allowed us to determine the direction of the charge transfer. We analyzed the interaction between the adsorbate and the surface, in the framework of the Local density of states (LDOS). Our results have revealed that the C, N and O atoms were stable on the top and hollow sites. The CN, NCO and OCN molecules bind strongly with the Ag(110) surface. While, the CO molecule weakly adsorbs on the Ag(110) surface. We found that the NCO and OCN thermochemical decomposition on the Ag(110) surface is not favorable. The CI-NEB calculations have also confirmed that the NCO and OCN decomposition on the Ag(110) surface was endothermic.

Mediolateral Margin of Stability highlights motor strategies for maintaining dynamic balance in older adults.

The dynamical nature of gait increases fall risk for older adults as the Center of Mass (COM) is constantly displaced inside and outside the Base of Support (BOS). Foot placement and leg joint moments are the primary mechanisms controlling dynamic balance. The Margin of Stability (MOS) quantifies the distance between the COM dynamical state and the BOS. While research examined how aging affects the relationship between foot placement and MOS, the relationship to leg moments is unexamined. Examining this relationship would elucidate whether aging increases fall risk from changes in the joint moments controlling the COM. Fourteen older (66.9 ± 4.3 years) and sixteen young (26.3 ± 3.6 years) adults walked along a 12m path for three trials. The MOS, hip and ankle moments in sagittal and frontal planes were analyzed. For the knee, only the sagittal plane was analyzed. MOS was calculated as the distance between the extrapolated-COM and the Center of Pressure per step. Statistical Parametric Mapping independent t-tests assessed group differences. Cross-correlation quantified MOS and joint moment relationships per plane during single-stance. No group differences in walking speed were observed. A larger frontal plane MOS, hip abduction and ankle eversion moment occurred for older adults. Cross-correlation demonstrated moderate and strong relationships for the hip-MOS for both groups in the sagittal plane. Older adults had a larger sagittal plane hip-MOS correlation than young adults. The larger mediolateral MOS in older adults may indicate attempts to avoid lateral balance loss by shifting their COM away from their BOS lateral boundaries during single-stance. However, this strategy moves the COM toward the BOS medial borders potentially pre-maturely terminating the contralateral swing phase during medial destabilization. The stronger sagittal plane hip-MOS relationship in older adults may reflect increased coupling between hip moments and the COM to control dynamic balance.

Giant piezoelectricity in antiferromagnetic CrS2 and CrSe2 monolayers

Abstract Two-dimensional (2D) materials, particularly transition metal dichalcogenides (TMDs), have garnered significant attention in the nanoscale piezoelectric field due to their high crystallinity and ability to withstand large strains. Through density-functional theory calculations, we have discovered that monolayer H-phase CrS2 and CrSe2 exhibit antiferromagnetic semiconducting properties, in contrast to the previously held belief that they were nonmagnetic (NM) semiconductors. While the piezoelectric coefficients of NM CrS2 and CrSe2 are comparable to those of MoS2, their antiferromagnetic ground states demonstrate significantly enhanced piezoelectric coefficients ( d 11 ) of 27.66 pm V−1 and 52.36 pm V−1, respectively. These values exceed that of MoS2 by an order of magnitude, marking the highest recorded for TMD materials and the highest in 2D magnetic materials to date. The greatly enhanced piezoelectric responses in the antiferromagnetic states of CrS2 and CrSe2 compared to their NM states arise from three primary factors. Firstly, the displacement of the Wannier center under strain is more pronounced in the antiferromagnetic state, leading to a greater change in dipole moment (enhanced clamped-ion contribution). Secondly, there is a heightened polarization change due to internal atomic distortions (internal-strain term) in response to macroscopic strain in the antiferromagnetic state. Thirdly, the material undergoes a softening of the elastic coefficient in its antiferromagnetic state. These findings open new avenues for designing high-performance piezoelectric and magnetic multifunctional materials.

Fokker-Planck Central Moment Lattice Boltzmann Method for Effective Simulations of Fluid Dynamics

We present a new formulation of the central moment lattice Boltzmann (LB) method based on a minimal continuous Fokker-Planck (FP) kinetic model, originally proposed for stochastic diffusive-drift processes (e.g., Brownian dynamics), by adapting it as a collision model for the continuous Boltzmann equation (CBE) for fluid dynamics. The FP collision model has several desirable properties, including its ability to preserve the quadratic nonlinearity of the CBE, unlike that based on the common Bhatnagar-Gross-Krook model. Rather than using an equivalent Langevin equation as a proxy, we construct our approach by directly matching the changes in different discrete central moments independently supported by the lattice under collision to those given by the CBE under the FP-guided collision model. This can be interpreted as a new path for the collision process in terms of the relaxation of the various central moments to “equilibria”, which we term as the Markovian central moment attractors that depend on the products of the adjacent lower order moments and a diffusion coefficient tensor, thereby involving of a chain of attractors; effectively, the latter are nonlinear functions of not only the hydrodynamic variables, but also the non-conserved moments; the relaxation rates are based on scaling the drift coefficient by the order of the moment involved. The construction of the method in terms of the relevant central moments rather than via the drift and diffusion of the distribution functions directly in the velocity space facilitates its numerical implementation and analysis. We show its consistency to the Navier-Stokes equations via a Chapman-Enskog analysis and elucidate the choice of the diffusion coefficient based on the second order moments in accurately representing flows at relatively low viscosities or high Reynolds numbers. We will demonstrate the accuracy and robustness of our new central moment FP-LB formulation, termed as the FPC-LBM, using the D3Q27 lattice for simulations of a variety of flows, including wall-bounded turbulent flows. We show that the FPC-LBM is more stable than other existing LB schemes based on central moments, while avoiding numerical hyperviscosity effects in flow simulations at relatively very low physical fluid viscosities through a refinement to a model founded on kinetic theory.

Older Adults’ Descendants and Family Networks in the Context of Global Educational Expansion

AbstractFamily networks are key to understanding the well‐being of older adults because kin provide instrumental and financial support, help manage health and disability, and encourage social integration. Two momentous societal changes have shaped the families of contemporary older adults: the first and second demographic transitions and global educational expansion. The intersection of these two processes raises questions about how older adults are faring in terms of their kin availability. This paper examines the socioeconomic bifurcation of adults in midlife and beyond in terms of the existence of descendants and other kin. Disparities in kin availability may vary across socioeconomic status and contexts, and so we examine this phenomenon worldwide, analyzing data on two thirds of the world's population of adults aged 50 and above. Our results highlight different kin structures by socioeconomic status. High socioeconomic status adults have fewer descendants but a higher likelihood of having at least one child with tertiary education, a partner, and living parents. Low socioeconomic status older adults have larger families with more younger kin. Our results shed new light on potential mismatches between the contemporary family networks of older adults and longstanding social norms and assumptions about caregiving, family, and health policies.

Effect of weak intermolecular interactions on the ionization of benzene derivatives dimers.

The interactions between π-systems in dimers of aromatic molecules lead to particularly stable conformations within the relative orientations of the monomers. Extensive research has been conducted on the properties of these complexes in the neutral state. However, in recent decades, there has been a significant surge in applications harnessing these structures for electrical purposes. Therefore, this study places particular emphasis on a deeper understanding of the redox properties of these compounds and how to modify them. To achieve this, we have focused on modeling the effect of a wide range of functional groups on the redox properties of benzene derivatives, observing a correlation between these properties and the change in the molecular dipole moment. Then, we investigated the effect of π-stacking interactions on these properties in dimers formed by either identical or different monomers. In both cases, there is an enhancement of the reducing character of the systems due to these interactions. Upon oxidation, the charge is distributed proportionally to the redox potential of each monomer. Therefore, if there is heterogeneity in these potentials, the properties of the complete cationic system will be influenced by the monomer with a greater tendency to undergo oxidation. The considered models serve as an excellent example for studying the behavior of nucleobases in DNA or aromatic amino acids, among others.

Effect of locally excited state on fluorescence transition dipole moment in quadrupolar molecules subjected to symmetry breaking charge transfer.

In excited centrosymmetric donor-acceptor triads of type A-D-A or D-A-D, symmetry breaking charge transfer (SBCT) in polar media has been explored for a few decades. SBCT is accompanied by significant reorganization of the electronic structure of the molecule, which leads to a change in the fluorescence transition dipole moment (TDM). Previously, experiments revealed a 20%-30% reduction in TDM, which occurs on the timescale of SBCT. Simple SBCT models explain this reduction. Here, the effect of the interaction of a locally excited state with zwitterionic states on TDM is investigated. This interaction is shown to have a drastic impact on the TDM and its dependence on the solvent polarity. The magnitude of TDM can decrease monotonically, increase monotonically, and also pass through a maximum with an increase in the SBCT degree due to the locally excited state effect. The scale of changes in TDM in the course of SBCT increases greatly. The conditions for the implementation of a particular scenario have been determined. This work clearly demonstrates the observable influence of upper excited states on the photochemistry and photophysics of molecules. Methods for controlling the fluorescent characteristics of quadrupolar molecules are proposed.

DFT study of electronic and nonlinear optical properties of alkaline earth metals and superalkalis doped all-cis-1, 2, 3, 4, 5, 6-hexafluorocyclohexane as an efficient excess electron system

Continual advancements are being pursued to discover innovative strategies for developing materials with remarkable nonlinear optical (NLO) response. Herein, electronic, geometric, thermodynamic and NLO properties of excess electron systems based on stacked Janus dimer, all-cis-1,2,3,4,5,6-hexafluorocyclohexane (C6H6F6)2 are thoroughly investigated. The excess electron systems are designed by doping alkaline earth metals (AEMs) on fluorine face and superalkalis on hydrogen face of Janus dimer. The higher values of vertical ionization energies (VIE) and interaction energies (Eint), confirm the electronic and thermodynamic stabilities of the designed complexes, respectively. Natural bond orbital (NBO) analysis is performed, and the excess electron character of the complexes is confirmed through frontier molecular orbital (FMO) analysis by highest occupied molecular orbital (HOMO) iso-densities. FMO shows a significant decrease in energy gaps (Egap) of the complexes (i.e., Eg = 1.80–3.12 eV), compared to the stacked Janus dimer (i.e., Eg = 9.41 eV). The transparency of the complexes to UV region is confirmed through UV–vis analyses, revealing their maximum absorption in visible and near-IR regions. The higher NLO response of the designed excess electron systems is further proved by the greater values of first hyperpolarizability (β o ) i.e., up to 1.70 × 106 au. Moreover, the time dependent-density functional theory (TD-DFT) computations and two-level model are employed to investigate the controlling factors of hyperpolarizability, illustrating the contribution of transition energy (∆E3), change in dipole moment (∆μ) and oscillator strength (f o ) in controlling the β o . Ab-initio molecular dynamics (AIMD) simulation further confirm that the designed superalkalide complexes are kinetically and thermally stable. The thorough investigation of these excess electron systems proves them an appropriate candidate for NLO applications.

Taking Liberty with Imagination and Gender in Northanger Abbey

In Northanger Abbey Austen presents the evolution and devolution of a romantic relationship that reveals what is lost when shame brings two non-heteronormative partners into a conventional social contract: the witty conversations and imaginative flights of fancy that Catherine Morland and Henry Tilney sustain in their courtship fade and finally disappear as they take their places in the symbolic order. Both experience a turning point in their development when Henry realizes and seemingly rebukes Catherine for suspecting that his father was responsible for his mother’s death. That critical moment changes everything for them, as they surrender their fluidity and pursue a more generic path to marriage that Austen’s metaleptic narrator cagily challenges as the novel concludes.

Biomechanics of the Human Knee Joint in Maximum Voluntary Isometric Flexion: Study of Changes in Applied Moment, Agonist-Antagonist Participations, Joint Center, and Flexion Angle.

Estimation of the knee joint strength by maximum voluntary isometric contraction (MVIC) is a common practice to assess strength, coordination, safety to return to work or engage in sports after an injury, and to evaluate the efficacy of treatment modalities and rehabilitation strategies. In this study, we utilize a previously validated coupled finite element-musculoskeletal model of the lower extremity to explore the sensitivity of output measures (posterior cruciate ligament [PCL]/muscle/contact forces and passive moments) in knee MVIC flexion exercises at seated position. To do so, at three knee flexion angles (KFA), input measures (resistance moment and contribution moments of quadriceps and gastrocnemii) were varied at four levels each using the Taguchi design of experiment. Our findings reveal significant increases in PCL forces with KFA (p < 0.01), net MVIC moment (p < 0.01), and resistance moment of quadriceps (p < 0.01). In contrast, they drop at larger activity in gastrocnemii (p < 0.01). Tibiofemoral (TF) contact forces increase with the net MVIC moment (p < 0.01). The passive knee flexion moment, while highly dependent on the location at which computed, also increases with the net MVIC moment (p < 0.01). Changes in KFA, MVIC moment, and proportions thereof carried by quadriceps and/or gastrocnemii substantially affect biomechanics of the joint. Compared with level walking and stair ascent, slightly larger contact forces/stresses and much greater PCL forces are computed. This study improves our understanding of the knee joint behavior during MVIC in effective evaluation and rehabilitation interventions. Besides, it emphasizes the importance of positioning the joint center in model studies.

Stick, slip... bounce? Influence of violin bow rotational inertia on bouncing strokes

Prior perceptual tests using an experimental bow whose moment of inertia (relative to the pivot around the thumb) could be modified by moving small masses along the stick have indicated that violinists exhibit significant sensitivity to this parameter. This sensitivity was particularly notable when playing bouncing strokes like sautillé: some players reported perceiving a shift in the bouncing point, which refers to where the bow naturally bounces. Using the same experimental bow, we wanted to investigate further this influence of the bow rotational inertia. Through modal analysis, we examined the influence of moment of inertia on the bow's dynamic behavior. Additionally, a playing experiment involving motion capture was conducted on one player to explore how his control parameters were affected by a change of moment of inertia. This is of interest for bow makers as they can easily adjust the moment of inertia without affecting the stick's integrity by just varying the weight of the tip plate.

Maupertuis and the Reshaping of Natural History in Eighteenth-Century France

Abstract In this paper, I analyze a momentous change in eighteenth century French life sciences. Whereas in the first half of the century the conception of natural history as the systematic collection of facts had been most successful, at mid-century a new approach emerged. This approach was characterized by an accent on general philosophical themes rather than on observation and experiment. I study the grounds and features of this historical shift through the work of Maupertuis, who published papers in institutional (or Baconian) natural history in his early years, but then adopted a more speculative approach to the life sciences.

Solvatochromism, preferential solvation and excited state dipole moments of flufenamic acid in different solvent polarities

The influence of pure solvent and binary solvent mixtures on the optical properties of non-steroidal anti-inflammatory drug (NSAID) molecule, specifically flufenamic acid (FLA), has been studied using absorption and fluorescence spectroscopic techniques. A bathochromic shift is observed in the emission wavelength of FLA with an increase in the solvent polarity of pure solvents, attributed to the highest stability of the excited state. The spectral properties are correlated with Lippert–Mataga, solvent polarity parameter, Kamlet, and Catalan solvent polarity parameters, suggesting that both general and specific solvent effects influence the spectral properties, with general solvent effects dominating over specific solvent effects. Preferential solvation studies have been carried out in tetrahydrofuran (THF) and water solvent mixture, revealing variations in the preference for solvation of FLA as a function of the mole fraction of water. Solvatochromic data are utilized to estimate the excited state dipole moment in pure solvents using different solvatochromic methods, revealing that the excited state dipole moment of FLA is higher than its ground state counterpart. The increase in dipole moment in the excited state compared to the ground state is explained based on intramolecular charge transfer (ICT), with elaboration and discussion on the possible resonance structure corresponding to ICT, inferring the more polar nature of the excited state compared to the ground state. The effect of solute polarizability on the excited state dipole moment and change in dipole moment is also discussed.

Confounder-adjusted covariances of system outputs and applications to structural health monitoring

Automated damage detection is an integral component of each structural health monitoring (SHM) system. Typically, measurements from various sensors are collected and reduced to damage-sensitive features, and diagnostic values are generated by statistically evaluating the features. Since changes in data do not only result from damage, it is necessary to determine the confounding factors (environmental or operational variables) and to remove their effects from the measurements or features. Many existing methods for correcting confounding effects are based on different types of mean regression. This neglects potential changes in higher-order statistical moments, but in particular, the output covariances are essential for generating reliable diagnostics for damage detection. This article presents an approach to explicitly quantify the changes in the covariance, using conditional covariance matrices based on a non-parametric, kernel-based estimator. The method is applied to the Munich Test Bridge and the KW51 Railway Bridge in Leuven, covering both raw sensor measurements (acceleration, strain, inclination) and extracted damage-sensitive features (natural frequencies). The results show that covariances between different vibration or inclination sensors can significantly change due to temperature changes, and the same is true for natural frequencies. To highlight the advantages, it is explained how conditional covariances can be combined with standard approaches for damage detection, such as the Mahalanobis distance and principal component analysis. As a result, more reliable diagnostic values can be generated with fewer false alarms.

Optimizing the Landing Stability of Blended-Wing-Body Aircraft with Distributed Electric Boundary-Layer Ingestion Propulsors through a Novel Thrust Control Configuration

The imperative for energy conservation and environmental protection has led to the development of innovative aircraft designs. This study explored a novel thrust control configuration for blended-wing-body (BWB) aircraft with distributed electric boundary-layer ingestion (BLI) propulsors, addressing the issues of sagging and altitude loss during landing. The research focused on a small-scale BWB demonstrator equipped with six BLI fans, each with a 90 mm diameter. Various thrust control configurations were evaluated to achieve significant thrust reduction while maintaining lift, including dual-layer sleeve, separate flap-type, single-stage linkage flap-type, and dual-stage linkage flap-type configurations. The separate flap-type configuration was tested through ground experiments. Control experiments were conducted under three different experimental conditions as follows: deflection of the upper cascades only, deflection of the lower cascades only, and symmetrical deflection of both cascades. For each condition, the deflection angles tested were 0°, 10°, 20°, 30°, 40°, 50°, and 60°. The thrust reductions observed for these three conditions were 0%, 37.5%, and 27.5% of the maximum thrust, respectively, without additional changes in the pitch moment. A combined thrust adjustment method maintaining a zero pitch moment demonstrated a linear thrust reduction to 20% of its initial value. The experiment concluded that the novel thrust control configuration effectively adjusted thrust without altering the BLI fans’ rotation speed, solving the coupled lift–thrust problem and enhancing BWB landing stability.

Controlling Ultrafast Magnetization Dynamics via Coherent Phonon Excitation in a Ferromagnet Monolayer.

Exploring ultrafast magnetization control in 2D magnets via laser pulses is established, yet the interplay between spin dynamics and the lattice remains underexplored. Utilizing real-time time-dependent density functional theory (rt-TDDFT) coupled with Ehrenfest dynamics and nonadiabatic molecular dynamics (NAMD) simulations, we systematically investigate the laser-induced spin-nuclei dynamics with pre-excited A1g and E2g coherent phonons in the 2D ferromagnet Fe3GeTe2 (FGT) monolayer. Selective pre-excitation of coherent phonons under ultrafast laser irradiation significantly alters the local spin moment of FGT, consequently inducing additional spin loss attributed to the nuclear motion-induced asymmetric interatomic charge transfer. Excited spin-resolved charge undergoes a bidirectional spin-flip between spin-down and spin-up states, characterized by a subtle change in the spin moment within approximately 100 fs, followed by unidirectional spin-flip, which will further contribute to the spin moment loss of FGT within tens of picoseconds. Our results shed light on the coupling of coherent phonons with magnetization dynamics in 2D limit.

Research on the change of the combined moment of inertia for two-link manipulator with angular coordinate system

The main of the problems of the development of two-link manipulators with an angular coordinate system is the lack of effective and universal control systems capable of implementing energy-intensive modes of movement. This is due to the design features of the pointer system of such manipulators and the methods of their use. During the operation of the manipulator, significant dynamic loads occur in its drive system, which create oscillations of the mechanical system and reduce the accuracy of work. The control system must also effectively compensate for such dynamic variations. Dynamic equations of motion used to build manipulator control controllers, which allow taking into account various features of using manipulators. These mathematical models necessarily contain one of the characteristics in the form of the combined moment of inertia of the mechanical system, which is important in the calculation of differential equations and the determination of kinematic parameters of motion. In this article, the combined moments of inertia of the boom system of a two-link manipulator with an angular coordinate system are determined. A study was carry out and it shown that the nature of the change in the combined moments of inertia influenced by the modes of movement of the boom system links. The results of the study showed that the combined moment of inertia of the boom system of the manipulator is not a constant value, which does not change uniformly under special operating conditions of the machine. To determine the combined moments of inertia, the method of bringing the kinetic energy of the moving system to the drive mechanism was apply. This is relevant, because in the future it will be necessary to adjust the unevenness of the movement of the manipulator links by the drive itself. The study was conduct for a typical linear motion mode and a motion mode with a change in speed along a parabolic trajectory.

The efficacy of the Novel Hybrid Passive Spring Damper Ankle Foot Orthosis regard to kinetic and kinematic parameters of patients with Multiple Sclerosis: An intervention study

ABSTRACT Drop foot is a common consequence of Multiple Sclerosis (MS), which may be improved somewhat by an ankle-foot orthosis (AFO). This study aimed to examine the immediate effect of using the recently developed Novel Hybrid Passive Spring Damper AFO (the novel HPSDAFO) on the kinetic and kinematic parameters of patients with MS (PwMS) in the sagittal plane. Twelve PwMS who suffered a unilateral drop foot participated in this study and fitted with the novel HPSDAFO. They walked with the novel HPSDAFO on the affected side and shoe on the affected side at a self-selected speed. Walking by the novel HPSDAFO, the symmetry of all of the evaluated sagittal kinetic and kinematic parameters improved noticeably. The range of ankle plantarflexion and knee flexion increased significantly at the stance phase. Power generation increased at all three joints. The peak of ankle dorsiflexion at early stances and the first peak of knee extension moments increased significantly but decreased at the hip joint. Changes in sagittal ROM, moment, and power generation in the plane and the improved symmetry revealed a more normal walking by using the novel HPSDAFO on the affected limb of PwMS.

Tuning Two-Photon Absorption in Rhodopsin Chromophore via Backbone Modification: The Story Told by CC2 and TD-DFT.

We investigate here a systematic way to tune two-photon transition strengths (δ2PA) and two-photon absorption (2PA) cross sections (σ2PA) of the rhodopsin's chromophore 11-cis-retinal protonated Schiff base (RPSB) via the modulation of the methyl groups pattern along its polyene chain. Our team employed the resolution of identity, coupled cluster approximate second order (RI-CC2) method with Dunning's aug-cc-pVDZ basis set, to determine the structural impact on δ2PA, as well as its correlation to both transition dipole moments and permanent electric dipole moments. Seven structures were probed in vacuo, including five-double-bond-conjugated model of the native chromophore, shortened by the β-ionone ring (RPSB5), and its de/methylated analogues: 9-methyl, 13-methyl, planar and twisted models of 9,10-dimethyl and 9,10,13-trimethyl. Our results demonstrate that the magnitude of δ2PA is dictated by both the position and number of methylated groups attached to its polyene chain as well as the degree of dihedral twist that is introduced due to the de/methylation. In fact, a strong correlation between δ2PA enhancement and the presence of a C13-methyl group in the planar RPSB5 species is found. Trends in δ2PA values follow the trends observed in their corresponding changes in the permanent dipole moment upon the S0-S1 excitation nearly exactly. The assessment of four DFT functionals, i.e., M11, MN15, CAM-B3LYP, and BHandHLYP, previously found most successful in predicting 2PA properties in biological chromophores, points to a long-range-corrected hybrid meta-GGA M11 as the top-performing functional, albeit still delivering underestimated δ2PA and σ2PA values by a factor of 3.3-5.3 with respect to the CC2 results. In the case of global-hybrid meta-NGA (MN15), as well as CAM-B3LYP and BHandHLYP functionals, this factor deteriorates significantly to 6.7-20.9 and is mostly related to significantly lower quality of the ground- and excited-state dipole moments.