相关论文: Fantastical Excited State Optimized Structures and…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…
Hidden states of matter with novel and unusual properties may be created if a system out of equilibrium can be induced to follow a trajectory to a state which is inaccessible or does not even exist under normal equilibrium conditions. Here…
We investigate two separate notions of dynamical phase transitions in the two-dimensional nearest-neighbor transverse-field Ising model on a square lattice using matrix product states and a new \textit{hybrid} infinite time-evolving block…
We study the quantum self-organization of a few interacting particles with strong short-range interactions. The physical system is modeled via a 2D Hubbard square lattice model, with a nearest-neighbor interaction term of strength U and a…
Phase-space electronic structure theory offers up a new and powerful approach for tackling problems with coupled nuclear-electronic dynamics in a fashion that goes beyond Born-Oppenheimer (BO) theory. Whereas BO theory stipulates that we…
Commensurability is of paramount importance in numerous strongly interacting electronic systems. In the Fractional Quantum Hall effect, a rich cascade of increasingly narrow plateaux appear at larger denominator filling fractions. Rich…
We examine how the presence of an excited state quantum phase transition manifests in the dynamics of a many-body system subject to a sudden quench. Focusing on the Lipkin-Meshkov-Glick model initialized in the ground state of the…
Free energy perturbation (FEP) is considered the gold-standard simulation method for estimating small molecule binding affinity, a quantity of vital importance to drug discovery. The accuracy of FEP critically depends on an accurate model…
Assemblies of interacting quantum particles often surprise us with properties that are difficult to predict. One of the simplest quantum many-body systems is the spin 1/2 Heisenberg antiferromagnetic chain, a linear array of interacting…
Exceptional points (EPs) in non-Hermitian systems have recently attracted wide interests and spawned intriguing prospects for enhanced sensing. However, EPs have not yet been realized in thermal atomic ensembles, which is one of the most…
In this article, we explore properties of pseudo entropy [1] in quantum field theories and spin systems from several approaches. Pseudo entropy is a generalization of entanglement entropy such that it depends on both an initial and final…
Exceptional points (EPs) are singularities that arise in non-Hermitian physics. Current research efforts focus only on systems supporting isolated EPs characterized by increased sensitivity to external perturbations, which makes them…
The idea of a Potential Energy Surface (PES) forms the basis of almost all accounts of the mechanisms of chemical reactions, and much of theoretical molecular spectroscopy. It is assumed that, in principle, the PES can be calculated by…
We revisit the composite fermion (CF) construction of the lowest angular momentum yrast states of rotating Bose gases with weak short range interaction. For angular momenta at and below the single vortex, $L \leq N$, the overlaps between…
Exact diagonalization studies have revealed that the energy spectrum of interacting electrons in the lowest Landau level splits, non-perturbatively, into bands, which is responsible for the fascinating phenomenology of this system. The…
Exceptional points (EPs), at which more than one eigenvalue and eigenvector coalesce, are unique spectral features of Non-Hermiticity (NH) systems. They exist widely in open systems with complex energy spectra. We experimentally demonstrate…
A model for determining the hyperfine structure of the excited electronic states of diatomic bialkali heteronuclear molecules is formulated from the atomic hyperfine interactions, and is applied to the case of bosonic $^{39}$KCs and…
A gas of atoms some of which are in excited electronic state is under consideration. Since the lifetime of an excited state is to great extent larger than the time required for establishing the equilibrium over translational degrees of…
We propose a methodology to construct excited states with a fixed angular momentum, namely, "yrast excited states" of finite-size one-dimensional bosonic systems with periodic boundary conditions. The excitation energies such as the first…
Linear response time dependent density functional theory (TDDFT), which builds upon configuration interaction singles (CIS) and TD-Hartree-Fock (TDHF), is the most widely used class of excited state quantum chemistry methods and is often…