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DTSTART;TZID=Europe/Paris:20260202T140000
DTEND;TZID=Europe/Paris:20260202T153000
DTSTAMP:20260503T032307
CREATED:20260129T101942Z
LAST-MODIFIED:20260130T064652Z
UID:11871-1770040800-1770046200@fermi.univ-tlse3.fr
SUMMARY:A geometric picture of excited states in variational theories. - (Laura Grazioli / LCPQ / Seminar). - 2/02/2026\, 14H
DESCRIPTION:Séminaire du LCPQ \nLaura Grazioli CERMICS\, Paris \nSeminar LCPQ\, 2/02/2026\, 14H \nSummary :\nIn exact theory\, excited states correspond to higher-energy solutions of the Schrödinger equation. For an exact wave function\, these states appear as saddle points of the electronic energy functional\, and for a Morse function they can be classified by the number of negative eigenvalues of the Hessian matrix—the nth excited state having Morse index n. When the linear Schrödinger equation is solved within a nonlinear wave-function parameterization\, however\, spurious critical points may emerge. \nTo address this\, we develop manifold-constrained saddle-point search algorithms defined on the manifold of admissible electronic states. These methods target saddle points of fixed index k. A global exploration of the energy landscape is first performed using stochastic algorithms adapted to Riemannian manifolds\, to identify regions likely to contain saddle points. Within these regions\, local critical-point algorithms are then employed\, relying on the Riemannian gradient and selected information from the Riemannian Hessian. A careful treatment of the underlying manifold geometry is essential in both stages\, enabling the construction of stable algorithms for locating saddle points\, which are naturally unstable. \nIn quantum chemistry\, excited states are also commonly computed through linear response theory\, which analyses the linearized dynamics around a stable ground state. Although linear response formulations exist for many variational theories\, their derivations are often technically involved and rely on ad-hoc constructions. We provide a unified derivation for variational theories by exploiting the geometric structure of Kähler manifolds. \nBoth excited-state characterisations—saddle-point theory and linear response theory—are developed and applied first within Hartree–Fock theory\, represented by a Grassmann manifold\, and subsequently within Complete Active Space Self-Consistent Field (CASSCF) theory\, represented by a flag manifold. \n\n\n\n 
URL:https://fermi.univ-tlse3.fr/event/a-geometric-picture-of-excited-states-in-variational-theories-laura-grazioli-lcpq-seminar-2-02-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LCPQ,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260203T140000
DTEND;TZID=Europe/Paris:20260203T153000
DTSTAMP:20260503T032307
CREATED:20260128T084640Z
LAST-MODIFIED:20260130T064658Z
UID:11796-1770127200-1770132600@fermi.univ-tlse3.fr
SUMMARY:Conductivité de Hall thermique dans les aimants quantiques à partir de l’équation cinétique. - (Léo Mangeolle / LPT / Seminar). -3/02/2026\, 14H
DESCRIPTION:Séminaire LPT \nLéo Mangeolle (Université technique de Munich) \nSeminar LPT\, 3/02/2026\, 14H\, 3R4\, salle de conférence \nSummary\nThermal Hall conductivity has recently emerged as an experimentally accessible property of insulating materials. Theoretical understanding thereof has remained a challenge\, in particular since the breaking of time-reversal symmetry by neutral particles is nontrivial and can emerge from multiple mechanisms (intrinsic semiclassical dynamics\, skew-scattering\, disorder side-jump effects\, etc). In this seminar\, I will show that many of these effects can be studied together within a kinetic (Boltzmann-like) formalism. First\, I will briefly discuss inelastic skew-scattering of energy-carrying bosons by other collective excitations\, with applications to phonon-magnon interactions in antiferromagnets. Second\, I will present how anomalous contributions to the semiclassical dynamics of carriers can be incorporated in a rigorous way\, yielding the intrinsic thermal Hall effect of chiral bosons (e.g. magnons in frustrated magnets). Finally\, I will discuss side-jump phenomena\, a mixed effect of disorder scattering and semiclassical dynamics that may explain some puzzling experimental facts.
URL:https://fermi.univ-tlse3.fr/event/tba-leo-mangeolle-lpt-seminar-3-02-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LPT,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260205T140000
DTEND;TZID=Europe/Paris:20260205T150000
DTSTAMP:20260503T032307
CREATED:20260127T064551Z
LAST-MODIFIED:20260130T064713Z
UID:11892-1770300000-1770303600@fermi.univ-tlse3.fr
SUMMARY:Direct Determination of Magnetic Anisotropies in Pnictinidenes and Fe(II) compounds from 3 to 6000 cm^-1 by THz-EPR Spectroscopy. - (Tarek Al Said /  LNCMI / Seminar). - 5/02/2026\, 14H
DESCRIPTION:Seminar LNCMI \nTarek Al Said \, Helmholtz-Zentrum Berlin für Materialien und Energie \nSeminar LNCMI\, 5/02/2026\, 14H\, Visio \nAbstract\nThe magnetic anisotropy (zero-field splitting\, ZFS) of a molecular compound is a sensitive probe for the electronic structure and can further present an important property of functional materials.\nFor example\, probing the typically large ZFS in high-spin (HS) Fe(II) compounds\, gives inside in the function of related metalloenzymes or spin-crossover (SCO) compounds [1\,2].\nIn molecular magnetism\, a large magnitude of the anisotropy is desired to increase the spin-reversal barrier [3].\nFor an accurate determination\, electron paramagnetic resonance (EPR) spectroscopy is the method of choice\, however large ZFS poses serve experimental challenges for conventional EPR methods. \nTo study species with large magnetic anisotropy\, we employ frequency-domain Fourier-transform THz-EPR (FD-FT THz-EPR) spectroscopy at BESSY II [4] in a range from 3 to 6000 cm^-1 and at magnetic fields up to 10 T in conjunction with optical excitation.\nIn this talk\, examples on recent research on HS main group and transition metal compounds will be given. First\, we show the EPR characterization of two mononuclear HS Fe(II) complexes [5]\,\nwhich serve as models for SCO compounds\, and give an outlook on the possibilities to study thermally and light-induced SCO by THz-EPR.\nSecond\, studies on different triplet pnictinidenes (R–Pn\, Pn = As\,Bi) reveal the influence of adjacent metal atoms and SOC on the electronic structure of metallo-arsinidenes (Pt– As\, Pd–As) [6]\nand demonstrate the determination of a giant axial ZFS of +5422 cm^-1 in a bismuthinidene (R–Bi) [7]\, to the best of our knowledge\, the largest value experimentally determined up to now. \nThereby\, our studies establish FD-FT THz-EPR as a unique method to probe very large ZFS in order to draw robust magneto-structural correlations with implications for new magnetic materials. \n[1] A. Ozarowski et al.\, J. Am. Chem. Soc 2004\, 126\, 6574.\n[2] P. Gütlich et al.\, Beilstein J. Org. Chem. 2013\, 9\, 342\n[3] F. Neese and D. Pantazis\, Faraday Discuss. 2011\, 148\, 229.\n[4] J. Nehrkorn et al.\, J. Magn. Res. 2017\, 280\, 10.\n[5] Manuscript in preparation\n[6] M. Deben et al.\, J. Am. Chem. Soc 2025\, 147\, 5330.\n[7] T. Al Said et al.\, J. Am. Chem. Soc 2025\, 147\, 84. \nLieu : Salle Pauthenet in Grenoble \nLien Zoom : \nhttps://univ-grenoble-alpes-fr.zoom.us/j/94228207316?pwd=khTdznxeFy1ZUYkYftQ0QSox6Fz3iK.1
URL:https://fermi.univ-tlse3.fr/event/direct-determination-of-magnetic-anisotropies-in-pnictinidenes-and-feii-compounds-from-3-to-6000-cm-1-by-thz-epr-spectroscopy-tarek-al-said-lncmi-seminar-5-02-2026-14h/
LOCATION:Visio
CATEGORIES:Events,LNCMI,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260205T140000
DTEND;TZID=Europe/Paris:20260205T150000
DTSTAMP:20260503T032307
CREATED:20260127T075930Z
LAST-MODIFIED:20260130T064704Z
UID:11890-1770300000-1770303600@fermi.univ-tlse3.fr
SUMMARY:Active space coupled cluster approaches and the eT program. - (Sarai Folkestad / LCPQ / Seminar). - 5/02/2026\, 14H
DESCRIPTION:Séminaire du LCPQ \nSarai Folkestad NTNU \nSeminar LCPQ\, 5/02/2026\, 14H \nAbstact :\nThe seminar will discuss the framework of multilevel and active space coupled cluster models\, their usefulness and limitations\, and the potential computational savings they can provide. The design choices and specialized features of the electronic structure program\, eT\, that ensure efficient active space calculations will also be discussed.  \n\n\n\n 
URL:https://fermi.univ-tlse3.fr/event/active-space-coupled-cluster-approaches-and-the-et-program-sarai-folkestad-lcpq-seminar-5-02-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LCPQ,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260210T140000
DTEND;TZID=Europe/Paris:20260210T150000
DTSTAMP:20260503T032307
CREATED:20260207T045156Z
LAST-MODIFIED:20260209T131732Z
UID:11801-1770732000-1770735600@fermi.univ-tlse3.fr
SUMMARY:Corrélations électroniques modulables dans 135 métaux Kagomé. - (Matteo Crispino / LPT / Seminar). -10/02/2026\, 14H
DESCRIPTION:Séminaire LPT \nMatteo Crispino ((Université de Wurtzbourg) \nSeminar LPT\, 10/02/2026\, 14H\, 3R4\, salle de conférence \nSummary : \nKagome metals exhibit rich correlated-electron physics\, yet a systematic understanding of the degree of correlation across transition-metal species remains elusive. Using density-functional theory plus multi-orbital slave-spin mean-field theory\, we investigate electronic correlations in the Ti-\, V-\, and Cr-based 135 compounds with Sb and Bi pnictogens. We find that the significantly stronger degree of correlation of the Cr-based materials compared to Ti and V can only be explained through the synergy of two effects: the larger electron filling of the d-shell and the reduced characteristic kinetic energy. We put forward that the substitution of Sb with Bi strengthens correlations in all compounds and make the prediction that the-yet-to-be-synthesized CsCr3Bi5 must be the most strongly correlated member of the entire family. These findings provide a quantitative\, band-structure-based framework for understanding and predicting correlation strength in Kagome metals.
URL:https://fermi.univ-tlse3.fr/event/tba-matteo-crispino-lpt-seminar-10-02-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LPT,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260224T140000
DTEND;TZID=Europe/Paris:20260224T153000
DTSTAMP:20260503T032307
CREATED:20260216T103211Z
LAST-MODIFIED:20260217T092721Z
UID:11873-1771941600-1771947000@fermi.univ-tlse3.fr
SUMMARY:Structure de l’intrication multipartite des états quantiques aléatoires et gravité. - (Simon Lin / LPT / Seminar). -24/02/2026\, 14H
DESCRIPTION:Séminaire LPT \nSimon Lin \,NYU Abu Dhabi) \nSeminar LPT\, 24/02/2026\, 14H\, 3R4\, salle de conférence \nAbstract\nEntanglement is the defining feature of a quantum system where different parts of the system cannot be factorized as a product. In terms of bipartite entanglement\, there are clear diagnostics for whether a system is entangled or not. The situation for multipartite entanglement is less understood. In my talk I will discuss different diagnostics of multipartite entanglements that can be formulated as symmetrized contractions of density matrices of the system: Reflected entropy and (genuine) multi-entropy. For random tensor network states\, these signals can be calculated using the replica trick and be reformulated as a combinatorial optimization problem\, allowing explicit evaluation in the large $N$ limit. This in turn leads to interesting connections to minimal cut problems on the graph defining the tensor network. Implications for holography and quantum gravity will also be discussed
URL:https://fermi.univ-tlse3.fr/event/tba-simon-lin-lpt-seminar-24-02-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LPT,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260227T110000
DTEND;TZID=Europe/Paris:20260227T123000
DTSTAMP:20260503T032307
CREATED:20260215T082008Z
LAST-MODIFIED:20260217T092727Z
UID:11960-1772190000-1772195400@fermi.univ-tlse3.fr
SUMMARY:Listening to the millihertz Universe with the Laser Interferometer Space Antenna (LISA). - (John G. BAKER / Seminar/ SFP). - 27/02/2026\, 11H
DESCRIPTION:Séminaire SFP \nJohn G. BAKER\, Laboratoire des 2 Infinis de Toulouse\, Salle de Conférence\, Bât. 3R4 \nSummary:\nAbout a decade after the first detection of gravitational waves with ground-based observatories in 2015\, the European Space Agency has recently adopted a bold mission to realize a space-based gravitational-wave mission. The expanse of space provides a profoundly quiet environment and room for the kind of gargantuan instrument needed to listen to the universe in a new mHz band with gravitational wavelengths about 10000 times larger than those observed directly from the ground. The rumbling of the universe in this band will provide an unprecedented new perspective on the universe\, revealing new populations of sources\, more numerous\, more immense and more distant that those measured from the ground. \nThis talk will overview what LISA is expected to observe and discuss some of the efforts now underway to prepare for scientific analysis of LISA’s data following launch planned for 2035 \nAffiche presentation séminaire SFP\, John G. Baker \n 
URL:https://fermi.univ-tlse3.fr/event/listening-to-the-millihertz-universe-with-the-laser-interferometer-space-antenna-lisa-john-g-baker-seminar-sfp-27-02-2026-11h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,Seminars,SFP / SFC
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