25^th International Conference on the Jahn-Teller Effect

Day 1, Sunday, May 14, 2023

Time in GMT (PM)

1:00 – 1:15 PM (GMT)

Opening Remarks:

I. B. Bersuker, Chairman, International Steering Committee of JTE Conferences
T. Zeng, Chairman, Organizing Committee of 25^th Conference on the JTE

Oral Presenter

Presentation Title

Session 1-1 Chair: Terry Miller

1:15 – 1:55 PM (GMT)

Isaac Bersuker
(Invited Speaker)

The Jahn-Teller Effects in Materials Science, Chemical Reactivity, and Engineering: Novel Findings
Isaac Bersuker
Abstract; Recording

1:55 – 2:35 PM (GMT)

Horst Köppel
(Invited Speaker)

Ab Initio Quantal Treatment of Nonadiabatic Molecular Photodynamics
H. Köppel

Abstract; Recording

2:35 – 2:55 PM (GMT)

Alexandra Viel

Are Artificial Neural Networks Useful to Describe the Non-Adiabatic Dynamics of the Nitrate Radical?
Alexandra Viel

Abstract; Recording

Session 1-2 Chair: Victor Polinger

3:10 – 3:50 PM (GMT)

Vladimir Hizhnyakov
(Invited Speaker)

Singular Vibronic Interaction in Liquids: Manifestation in the Optical Spectrum of Impurity Atoms in Superfluid Helium
V. Hizhnyakov, V. Boltrushko, G. Benedek, P. Moroshkin
Abstract; Recording

3:50 – 4:10 PM (GMT)

Juan Archilla

Spectrum of Exact Polarobreathers in Tight-Binding Semiclassical Systems
Juan F.R. Archilla, Jānis Bajārs, Yusuke Doi, Masayuki Kimura
Abstract; Recording

4:10 – 4:30 PM (GMT)

Krishna Nandipati

Cavity Jahn-Teller Polaritons in Molecules
Krishna R. Nandipati, Oriol Vendrell

Abstract; Recording

4:30 – 4:50 PM (GMT)

Michael Russell

Generation of Quodons in Tokamak Fusion Reactors
F. Michael Russell
Abstract; Recording

Day 2, Monday, May 15, 2023

Time in GMT (PM)

Oral Presenter

Presentation Title

12:00 – 1:00 PM (GMT)

Poster Session

Session 2-1 Chair: Horst Köppel

1:00 – 1:40 PM (GMT)

Wolfgang Ernst
(Invited Speaker)

Electron-Phonon Coupling at Topological Insulator Surfaces from Helium Atom Scattering Experiments
Wolfgang E. Ernst, Giorgio Benedek, Anton Tamtögl
Abstract; Recording

1:40 – 2:00 PM (GMT)

Gergo Thiering

Spin-Orbit and Jahn-Teller Effect in Split-Vacancy Impurity Defects of Diamond
Gergő Thiering, Adam Gali
Abstract; Recording

2:00 – 2:20 PM (GMT)

Kliment Kugel

Spin-Orbit Interaction and the Jahn−Teller Effect
Kliment Kugel, Sergey Streltsov, Fedor Temnikov, Daniil Khomskii
Abstract; Recording

2:20 – 2:40 PM (GMT)

Lorenzo Celiberti

Anti-Relativistic Jahn-Teller Polaron in a Spin-Orbit Entangled Oxide
Lorenzo Celiberti, Dario Fiore Mosca, Giuseppe Allodi, Leonid V. Pourovskii, Anna Tassetti, Paola Caterina Forino, Roberto De Renzi, Vesna Mitrović, Erick Garcia, Rong Cong, Patrick Woodward, Samuele Sanna, Cesare Franchini
Abstract; Recording

2:40 – 3:10 PM (GMT)

Poster Session

Session 2-2 Chair: Pablo Garcia-Fernandez

3:10 – 3:50 PM (GMT)

Victor Polinger
(Invited Speaker)

A Novel Property of Solids: Orientational Polarizability Induced by the Jahn-Teller and Pseudo-Jahn-Teller Effect
V. Polinger, I. B. Bersuker
Abstract; Recording

3:50 – 4:10 PM (GMT)

Kirill Baryshnikov

Optical and Magnetic Effects in Mn Isolated Impurities in CdTe and GaAs
Kirill Baryshnikov
Abstract; Recording

4:10 – 4:30 PM (GMT)

Natalia Kovaleva

Fingerprints of the Jahn-Teller and Superexchange Physics in Manganites and Titanates
Natalia Kovaleva, Olga Kusmartseva

Abstract; Recording

4:30 – 4:50 PM (GMT)

Inés Sánchez-Movellán

Structure and Magnetism of AgF₂: Trigonal Jahn-Teller Effect and Emergent Ferroelasticity
Inés Sánchez-Movellán, P. García-Fernández, J. A. Aramburu, M. Moreno
Abstract; Recording

4:50 – 5:50 PM (GMT)

Poster Session

Day 3, Tuesday, May 16, 2023

Time in GMT (PM)

Oral Presenter

Presentation Title

12:00 – 1:00 PM (GMT)

Poster Session

Session 3-1 Chair: Wolfgang Ernst

1:00 – 1:40 PM (GMT)

Hiroyasu Koizumi
(Invited Speaker)

Supercurrent and Electromotive Force Generations by the Berry Connection from Many-Body Wave Functions
Hiroyasu Koizumi
Abstract; Recording

1:40 – 2:00 PM (GMT)

Yang Liu

Pseudo Jahn-Teller Effect in photochemistry and Catalytic Chemistry
Yang Liu
Abstract; Recording

2:00 – 2:20 PM (GMT)

David Williams

Geometric Phase Effect in Non-Hermitian Theories
David M. G. Williams, Eirik F. Kjønstad, Todd J. Martínez
Abstract; Recording

2:20 – 2:40 PM (GMT)

Patrick Zobel

Reverse Intersystem Crossing in Carbene-Metal-Amide TADF Emitters
J. Patrick Zobel
Abstract; Recording

2:40 – 3:10 PM (GMT)

Poster Session

Session 3-2 Chair: Giorgio Benedek

3:10 – 3:50 PM (GMT)

Ketan Sharma
(Invited Speaker)

Vibronic  Coupling in Molecules: From Symmetry to Computations to Spectroscopy
Ketan Sharma
Abstract; Recording

3:50 – 4:10 PM (GMT)

Enrico Ridente

Femtosecond Symmetry Breaking and Coherent Relaxation of Methane Cations via X-ray Spectroscopy
Enrico Ridente, Diptarka Hait, Eric A. Haugen, Andrew D. Ross, Daniel M. Neumark, Martin Head-Gordon, Stephen R. Leone
Abstract; Recording

4:10 – 4:30 PM (GMT)

Victor Polinger

Pseudo-Jahn-Teller Effect in Transition States of Chemical Reactions
Natalia Gorinchoy, Victor Polinger, Isaac Bersuker
Abstract; Recording

4:30 – 4:50 PM (GMT)

Pedro B. Coto

Quantum Dynamical Simulation of Intramolecular Singlet Fission in Covalently Coupled Pentacene Dimers
Pedro B. Coto, S. Rajagopala Reddy, Michael Thoss
Abstract; Recording

4:50 – 5:50 PM (GMT)

Poster Session

Day 4, Wednesday, May 17, 2023

Time in GMT (PM)

Oral Presenter

Presentation Title

Session 4-1 Chair: Hiroyasu Koizumi

1:00 – 1:40 PM (GMT)

Albert Stolow
(Invited Speaker)

Time-Resolved Photoelectron Spectroscopy: An Experimental Probe of Ultrafast Non-adiabatic Dynamics in Polyatomic Molecules
Albert Stolow
Abstract; Recording

1:40 – 2:00 PM (GMT)

Satrajit Adhikari

Role of Electron-Nuclear Coupling on Photoelectron Spectra, Reactive Scattering Processes and Phase Transition of Solids
Satrajit Adhikari
Abstract; Recording

2:00 – 2:20 PM (GMT)

Cheol Ho Choi

MRSF-TDDFT: A Good Way of Introducing Strong Correlation
Cheol Ho Choi
Abstract; Recording

2:30 – 3:00 PM (GMT)

Meeting of the Steering Committee

Session 4-2 Chair: Liviu Chibotaru

3:10 – 3:50 PM (GMT)

Jin Jun Liu
(Invited Speaker)

Why is understanding vibronic interactions important to the production and utilization of laser-cooled molecules?
Jin Jun Liu
Abstract; Recording

3:50 – 4:10 PM (GMT)

Nora Kovacs

Screening Excited-State Dynamics in Emissive Vanadium(III) Complexes using Surface Hopping with Linear Vibronic Coupling
Nora Kovacs, J. Patrick Zobel, Leticia González

Abstract; Recording

4:10 – 4:30 PM (GMT)

Robert Mawhinney

How Hartree-Fock Exchange Contributions Affect the Observation of Pseudo Jahn-Teller Effects in Conjugated Silicon Compounds
Robert C. Mawhinney, Steven M. Maley
Abstract; Recording

4:30 – 4:50 PM (GMT)

Maria Drosou

Manifestation of the Jahn–Teller effect in Nature’s Water Oxidase
Maria Drosou, Georgia Zahariou, Dimitrios A. Pantazis

Abstract; Recording

Day 5, Thursday, May 18, 2023

Time in GMT (PM)

Oral Presenter

Presentation Title

Session 5-1 Chair: Wolfgang Domcke

1:00 – 1:40 PM (GMT)

Pablo Garcia-Fernandez
(Invited Speaker)

Pseudo Jahn-Teller Mediated Ferromagnetic to Antiferromagnetic Crossover in d⁹-ion (Cu²⁺, Ag²⁺) layered perovskite
Pablo García-Fernández, Inés Sánchez-Movellán, Miguel Moreno, José Antonio Aramburu
Abstract; Recording

1:40 – 2:00 PM (GMT)

Naoya Iwahara

Vibronic Order and Emergent Magnetism in Cubic d¹ Double Perovskites
Naoya Iwahara, Liviu F. Chibotaru
Abstract; Recording

2:00 – 2:20 PM (GMT)

Bin Zhang

Copper-Oxalato-Framework with Jahn-Teller Distortion
Bin Zhang, Yan Zhang, Zheming Wang, Daoben Zhu

Abstract; Recording

2:20 – 2:40 PM (GMT)

Zhishuo Huang

First-Principles Derivation of Elastic Interaction Between Jahn-Teller Centers in Crystals via Static Lattice Green’s Functions
Zhishuo Huang, Naoya Iwahara, Liviu F. Chibotaru
Abstract; Recording

Session 5-2 Chair: Satrajit Adhikari

3:10 – 3:30 PM (GMT)

Vladimir Gudkov

Quantum Dynamics of the Jahn-Teller Complexes Investigated by Ultrasonic Technique
V. V. Gudkov, N. S. Averkiev, I. V. Zhevstovskikh, M. N. Sarychev
Abstract; Recording

3:30 – 3:50 PM (GMT)

M. A. Makrushin

Genesis of Collective Modes in the Dynamic Conductivity of Higher Borides with Cooperative Jahn–Teller Instability
M. A. Makrushin, P. I. Arseev, K. M. Krasikov,

E. S. Zhukova, N. E. Sluchanko
Abstract; Recording

3:50 – 4:10 PM (GMT)

Gervasi Herranz

Spin, Lattice and Orbital Couplings in Manganites under Electromagnetic Fields
Alejandro. S. Miñarro, Ernest Pastor, Jayagreav Kannan, Blai Casals, Allan S. Johnson, Gervasi Herranz

Abstract; Recording

4:10 – 4:30 PM (GMT)

Artem Khoroshilov

Hall Effect Anisotropy in the Paramagnetic Phase of Ho_0.8Lu_0.2B₁₂ induced by the Jahn-Teller lattice instability
Artem Khoroshilov, Kirill Krasikov, Andrey Azarevich, Alexey Bogach, Vladimir Glushkov, Vladimir Krasnorussky, Valery Voronov, Natalya Shitsevalova, Volodymyr Filipov, Slavomir Gabáni, Karol Flachbart, Nikolay Sluchanko
Abstract; Recording

4:30 – 4:45 PM (GMT)

Isaac Bersuker and
T. Zeng

Concluding Remarks. Closing the Conference

NO.

Poster Presenter

Poster Title

Preferred Presentation Time (GMT)

01

Aramburu, Antonio

Reinterpretation of the conjectured Jahn-Teller switch of MnF₆^3- complexes in Na₃MnF₆ under pressure
I. Sánchez-Movellán, D. Carrasco-Busturia, J. M. García-Lastra, P. García-Fernández, J. A. Aramburu, M. Moreno
Abstract; Poster

12 - 1 PM (GMT), May 16

02

Averkiev, Nikita

Trigonal Jahn-Teller complex V_Ga-Te_As in GaAs
N.S. Averkiev, A.A. Gutkin
Abstract; Poster

12 - 1 PM (GMT), May 16

03

Balan, Iolanta

Pseudo Jahn-Teller Origin of the Double Proton Transfer Energy Barrier in Formic Acid Dimer
Iolanta Balan, Natalia Gorinchoy, Victor Polinger, Isaac B. Bersuker
Abstract; Poster

12 - 1 PM (GMT), May 16

04

Bao, Songhao

Time-dependent Vibrational Electronic Coupled Cluster (VECC) Theory for the Non-Adiabatic Nuclear Dynamics
Songhao Bao, Neil Raymond, Marcel Nooijen
Abstract; Poster

12 - 1 PM (GMT), May 16

05

Breza, Martin

Pseudo-Jahn-Teller Effect in Deprotonated Dimethyl Amino Phenyl Substituted Phthalocyanine
Martin Breza
Abstract; Poster

4:50 - 5:50 PM (GMT), May 15

06

Carral-Sainz, Nayara

Second Principles Density Functional Theory models: a Procedure to Obtain Their Tight-Binding Parameters Automatically
Nayara Carral-Sainz, Javier Junquera, Pablo García-Fernández
Abstract; Poster

12 - 1 PM (GMT), May 15

07

Fernández-Ruiz, Toraya

Interpretation of Self-Trapped Excitons in Rock Salt Halides from a Vibronic Coupling Perspective: a First Step to Simulate Real Time Diffusion
Toraya Fernández-Ruiz, Juan María García-Lastra, Pablo García-Fernández
Abstract; Poster

2:40 - 3:10 PM (GMT), May 16

08

Gonchar, Liudmila E.

The Superexchange Interaction in Overdoped Manganites
Liudmila E. Gonchar
Abstract; Poster

12 - 1 PM (GMT), May 15

09

Goyal, Sophiya

Electronic Structure of Substituted BODIPY Dyes : Application to Singlet Fission
Sophiya Goyal, S. Rajagopala Reddy
Abstract; Poster

12 - 1 PM (GMT), May 16

10

Huang, Zhishuo

Jahn-Teller Effect in C₆₀ Monoanion and Monocation
Zhishuo Huang, Dan Liu
Abstract; Poster

2:40 - 3:10 PM (GMT), May 16

11

Iwahara, Naoya

Vibronic Excitations in the Resonant Inelastic X-Ray Scattering Spectra of Spin-Orbit Mott Insulators
Naoya Iwahara, Shouta Shikano, Wataru Furukawa
Abstract; Poster

12 - 1 PM (GMT), May 15

12

Kanakati, Arun Kumar

The Jahn-Teller and Pseudo-Jahn-Teller Effects in the Propyne Radical Cation
Arun Kumar Kanakati, Vadala Jhansi Rani, Susanta Mahapatra
Abstract; Poster

2:40 - 3:10 PM (GMT), May 15

13

Mukherjee, Soumya

The Role of Nonadiabatic Coupling in Spectroscopic Calculations of Aromatic Molecules
Soumya Mukherjee, Saikat Hazra, Satyam Ravi, Subhankar Sardar, Satrajit Adhikari
Abstract; Poster

12 - 1 PM (GMT), May 15

14

Naskar, Koushik

Beyond Born-Oppenheimer Constructed Diabatic Potential Energy Surfaces of HeH₂⁺
Koushik Naskar, Satyam Ravi, Satrajit Adhikari, Michael Baer, Narayanasami Sathyamurthy
Abstract; Poster

12 - 1 PM (GMT), May 15

15

Ofitserova, Natalia

Ultrasonic Investigation of Fluorite-Type BaF₂ :Cu and BaF₂ :Ni Crystals
N. Yu. Ofitserova, M. N. Sarychev, I. V. Zhevstovskikh, V. A. Ulanov, V. T. Surikov, N. S. Averkiev, V. V. Gudkov
Abstract; Poster

4:50 - 5:50 PM (GMT), May 15

16

Pitesa, Tomislav

Excitonic Configuration Interaction
Tomislav Piteša, Severin Polonius, Sebastian Mai, Leticia González
Abstract; Poster

2:40 - 3:10 PM (GMT), May 16

17

Štellerová, Dagmar

Pseudo-Jahn-Teller Effect and Photoprotective Potential of Curcumin
Dagmar Štellerová, Vladimír Lukeš, Martin Breza
Abstract; Poster

4:50 - 5:50 PM (GMT), May 16

18

Roy-Chowdhury, Mouli

Marnetic Properties of Diluted Jahn-Teller Active Cuprospinels
Mouli Roy-Chowdhury, Suchit Kumar Jena, Subhash Thota
Abstract; Poster

12 - 1 PM (GMT), May 15

19

Singh, Harshita

Understanding the Role of Structural Distorsion on the Magnetic Behavior of Cobalt Vanadate Kagome System
Harshita Singh, Suchit Kumar Jena, Subhash Thota
Abstract; Poster

12 - 1 PM (GMT), May 16