Publications related to Hund's rule of maximum multiplicity

Two-particle azimuthal correlations in γp interactions using pPb collisions at √sNN=8.16 TeV

Matthias Finger, Konstantin Androsov, Qian Wang, Jan Steggemann, Yiming Li, Varun Sharma, Xin Chen, Arvind Shah, Rakesh Chawla, Jian Wang, João Miguel das Neves Duarte, Tagir Aushev, Matthias Wolf, Yi Zhang, Tian Cheng, Yixing Chen, Werner Lustermann, Andromachi Tsirou, Alexis Kalogeropoulos, Andrea Rizzi, Ioannis Papadopoulos, Paolo Ronchese, Hua Zhang, Leonardo Cristella, Siyuan Wang, Jessica Prisciandaro, Peter Hansen, Tao Huang, David Vannerom, Michele Bianco, Sebastiana Gianì, Davide Di Croce, Kun Shi, Wei Shi, Abhisek Datta, Wei Sun, Jian Zhao, Thomas Berger, Federica Legger, Bandeep Singh, Ji Hyun Kim, Donghyun Kim, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , ,

Weakness of Correlation Effect Manifestation in BaNi2As2: An ARPES and LDA plus DMFT Study

Daniil Yevtushynsky, Timur Kim

The electronic spectral function of BaNi2As2 is investigated using both angle-resolved photoemission spectroscopy (ARPES) and a combined computational scheme of local density approximation and dynamical mean-field theory (LDA + DMFT). In contrast to the we ...

AMER CHEMICAL SOC2021

Ultrafast Intersystem Crossing and Structural Dynamics of [Pt(ppy)(mu-(t)Bu(2)pz)](2)

Majed Chergui, Lars-Hendrik Mewes, Rebecca Ann Ingle

Intersystem crossing (ISC) rates of transition-metal complexes are determined by the complex interplay of a molecule's electronic and structural dynamics. To broaden our understanding of these key factors, we investigate the case of the prototypical d(8)-d ...

2020

A Crossing Lemma for Multigraphs

János Pach

Let G be a drawing of a graph with n vertices and e > 4n edges, in which no two adjacent edges cross and any pair of independent edges cross at most once. According to the celebrated Crossing Lemma of Ajtai, Chvatal, Newborn, Szemeredi and Leighton, the nu ...

SPRINGER2020

Sub-Kelvin stereodynamics of the Ne(3P2)+N2 reaction

Andreas Osterwalder, Sean Dennis Steven Gordon, Junwen Zou

We present an experimental study of the low-energy stereodynamics of the Ne(3P2)+N2 reaction. Supersonic expansions of the two reactants are superposed in a merged beam experiment, where individual velocity control of the two beams allows us to reach avera ...

AMER PHYSICAL SOC2019

On the potential of ruled-based machine learning for disruption prediction on JET

Olivier Sauter, Ambrogio Fasoli, Basil Duval, Stefano Coda, Martinus Gijs, Jonathan Graves, Yves Martin, Duccio Testa, Patrick Blanchard, Bruno Emanuel Ferreira De Sousa Correia, Alessandro Pau, Pierre-Thomas Paul Brun, Cristian Sommariva, Henri Weisen, Richard Pitts, Sun Hee Kim, Yann Camenen, Jan Horacek, Javier García Hernández, Marco Wischmeier, Mikhail Maslov, Nicola Vianello, Miguel Fernández Ruiz, Federico Nespoli, Antonio José Pereira de Figueiredo, Liang Yao, Yao Zhou, David Pfefferlé, Dalziel Joseph Wilson, Robin Humphry-Baker, Davide Galassi, José Pedro Rebelo Ferreira Marques, Ana Francisca Leal Silva Soares, Jonathan Marc Philippe Faustin, Daniel Scott Alessi, Arnout Lodewijk M Beckers, Julio Rodriguez, Hamish William Patten, Jonnathan Cesar Hidalgo Acosta, , , , , , , , ,

UV and IR Spectroscopy of Cryogenically Cooled, Lanthanide-Containing Ions in the Gas Phase

Thomas Rizzo, Yoshiya Inokuchi

We measure UV and IR spectra in the gas phase for EuOH+, EuCl+, and TbO+ ions, which are produced by an electrospray ionization source and cooled to similar to 10 K in a cold, 22-pole ion trap. The UV photodissociation (UVPD) spectra of these ions show a n ...

American Chemical Society2017

Theory And Practice Of Uncommon Molecular Electronic Configurations

Anne-Clémence Corminboeuf, Ganna Gryn'ova

The electronic conﬁguration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule’s set of orbitals. Organic molecules that have open-s ...

Wiley-Blackwell2015

Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation

Ivano Tavernelli

In this work, we derive a method to perform trajectory-based nonadiabatic dynamics that is able to describe both nonadiabatic transitions and intersystem crossing events (transitions between states of different spin-multiplicity) at the same level of theor ...

Amer Inst Physics2015

Importance of Unpaired Electrons in Organic Electronics

Mariateresa Scarongella, Natalie Renuka Banerji

The first observation that PBBTPD, a low bandgap, ambipolar conjugated donor-acceptor (DA) polymer based on benzobisthiadiazole (BBT), possesses an open-shell singlet ground state as well as a thermally accessible triplet state is described. Similarly, int ...

Wiley-Blackwell2015

Aging of asymmetric dynamics on the random energy model

Jean-Christophe Mourrat

We show aging of Glauber-type dynamics on the random energy model, inthe sense that we obtain the annealed scaling limits of the clock process and of theage process. The latter encodes the Gibbs weight of the configuration occupied by thedynamics. Both lim ...

Springer2015

Antibonding ground state in photonic crystal molecules

Laurent Balet, Massimo Gurioli

We employ a far-field analysis of the angular emission pattern to experimentally assess the symmetry of localized modes in coupled photonic-crystal cavities. We demonstrate that the spatial distribution of localized modes in photonic-crystal nanocavities m ...

2012

Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond

Ursula Röthlisberger, Ivano Tavernelli, Basile Curchod, Andrey Laktionov

Recently, we have proposed a scheme for the calculation of nonadiabatic couplings and nonadiabatic coupling vectors within linear response time-dependent density functional theory using a set of auxiliary many-electron wavefunctions [ I. Tavernelli, E. Tap ...

American Institute of Physics2010

Modelling of paramagnetic trivalent silicon defect centres in amorphous silica and at Si-SiO2 interfaces

Alfredo Pasquarello

We review the structural and hyperfine properties of Si dangling bond defects occurring in amorphous SiO2 and at various Si-SiO2 interfaces. These defects have in common a singly occupied orbital on a, trivalent Si Centre. We first briefly summarize the mo ...

2005