46 citations · 137 across the 10 of their papers we have counts for
11 papers
Dissipative Majorana Chain---Anomalies and Non-Invertible Symmetries
Hung-Hsuan Teh, Tokiro Numasawa
We study symmetries and anomalies of dissipative Majorana chains described by Lindblad dynamics. Using the operator-state mapping, we represent the Lindbladian as a non-Hermitian o…
A Perspective on Phase Space Electronic Structure Theory : From Its Surface Hopping Origins Through To Its Future Promise
Joseph E. Subotnik, Ethan Alguire, Nicole Bellonzi +20
We trace the history of phase space electronic structure theory (PSEST), high- lighting how this powerful approach emerged from fundamental questions in semi- classical surface hop…
Krylov Complexity and Mixed-State Phase Transition
Hung-Hsuan Teh, Takahiro Orito
We establish a unified framework connecting decoherence and quantum complexity. By vectorizing the density matrix into a pure state in a double Hilbert space, a decoherence process…
Inverse Spin Hall Effect in Nonequilibrium Dirac Systems Induced by Anomalous Flow Imbalance
Hung-Hsuan Teh, Tokiro Numasawa, Shun Okumura +1
We study Dirac fermions in the presence of a space-dependent chiral gauge field and thermodynamic gradients, establishing a connection to the inverse spin Hall effect. The chiral g…
Electron Transfer and Spin-Orbit Coupling: How Strong are Berry Force Effects In and Out of Equilibrium in the Presence of Nuclear Friction?
Suraj Chandran, Yanze Wu, Hung-Hsuan Teh +2
We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, exp(iWx). We consider both equilibrium and none…
Incorporating Berry Force Effects into The Fewest Switches Surface Hopping Algorithm: Intersystem Crossing and The Case of Electronic Degeneracy
Xuezhi Bian, Yanze Wu, Hung-Hsuan Teh +1
We present a preliminary surface-hopping approach for modeling intersystem crossing (ISC) dynamics between four electronic states: one singlet and one (triply degenerate) triplet.…
Spin Polarization through A Molecular Junction Based on Nuclear Berry Curvature Effects
Hung-Hsuan Teh, Wenjie Dou, Joseph E. Subotnik
We explore the effects of spin-orbit coupling on nuclear wave packet motion near an out-of-equilibrium molecular junction, where nonzero Berry curvature emerges as the antisymmetri…
On The Inclusion of One Double Within CIS and TD-DFT
Vishikh Athavale, Hung-Hsuan Teh, Joseph Subotnik
We present an improved approach for generating a set of optimized frontier orbitals (HOMO and LUMO) that minimizes the energy of one double configuration. We further benchmark the…
An Antisymmetric Berry Frictional Force At Equilibrium in the Presence of Spin-Orbit Coupling
Hung-Hsuan Teh, Wenjie Dou, Joseph E. Subotnik
We analytically calculate the electronic friction tensor for a molecule near a metal surface in the case that the electronic Hamiltonian is complex-valued, e.g. the case that there…
Analytic Gradients and Derivative Couplings for Configuration Interaction with All Single Excitations and One Double Excitation -- En Route to Nonadiabatic Dynamics
Hung-Hsuan Teh, Joseph E. Subotnik
We present analytic gradients and derivative couplings for the simplest possible multireference configuration interaction method, CIS-1D, an electronic structure ansatz that includ…
A Demonstration of Consistency between the Quantum Classical Liouville Equation and Berry's Phase and Curvature
Joseph Subotnik, Gaohan Miao, Nicole Bellonzi +2
Although the quantum classical Liouville equation (QCLE) arises by cutting off the exact equation of motion for a coupled nuclear-electronic system at order 1 (1 = ), we…