Related papers: Studying excited-state-specific perturbation theor…
Exceptional points (EPs) of non-Hermitian (NH) systems have recently attracted increasing attention due to their rich phenomenology and intriguing applications. Compared to the predominantly studied second-order EPs, higher-order EPs have…
Understanding the excitation spectrum in two-dimensional quantum many-body systems has long been a challenging task. We present an approach by introducing an excitation ansatz based on an infinite matrix product state (MPS) on a helix…
Background: Composed systems have became of great interest in the framework of the ground state quantum phase transitions (QPTs) and many of their properties have been studied in detail. However, in these systems the study of the so called…
Standard perturbation theory (SPT) for large-scale matter inhomogeneities is unsatisfactory for at least three reasons: there is no clear expansion parameter since the density contrast is not small on all scales; it does not fully account…
Excited-state methods within the nuclear--electronic orbital (NEO) framework have the potential to capture vibrational, electronic, and vibronic transitions in a single calculation. In the NEO approach, specified nuclei, typically protons,…
The responsivity of perturbation sensing can be effectively enhanced by using higher-order exceptional points (HOEPs) due to their nonlinear response to frequency perturbations. However, experimental realization can be difficult due to the…
Using a combined theoretical and experimental approach, we investigate the non-adiabatic dynamics of the prototypical ethylene (C2H4) molecule upon {\pi} \to {\pi}* excitation. In this first part of a two part series, we focus on the…
We present a formulation of the multiconfigurational (MC) wave function symmetry-adapted perturbation theory (SAPT). The method is applicable to noncovalent interactions between monomers which require a multiconfigurational description, in…
A new non-disruptive error field (EF) assessment technique not restricted to low density and thus low beta was demonstrated at the EXTRAP-T2R reversed field pinch. Stable and marginally stable external kink modes of toroidal mode number…
Evaluating the role of perturbations versus the intrinsic coherent dynamics in driving to equilibrium is of fundamental interest to understand quantum many-body thermalization, in the quest to build ever complex quantum devices. Here we…
We revisit the dissipative approach to producing and stabilizing spin-squeezed states of an ensemble of $N$ two-level systems, providing a detailed analysis of two surprising yet generic features of such protocols. The first is a…
We introduce an approach to improve single-reference coupled cluster theory in settings where the Aufbau determinant is absent from or plays only a small role in the true wave function. Using a de-excitation operator that can be efficiently…
The information theoretic observables entropy (a measure of disorder), excess entropy (a measure of complexity) and multi information are used to analyze ground-state spin configurations for disordered and frustrated model systems in 2D and…
Second-order M{\o}ller-Plesset perturbation theory (MP2) often breaks down catastrophically in small-gap systems, leaving much to be desired in its performance for myriad chemical applications such as noncovalent interactions,…
A stochastic resolution of identity approach (sRI) is applied to the second-order coupled cluster singles and doubles (CC2) model to calculate the ground-state energy. Utilizing a set of stochastic orbitals to optimize the expensive tensor…
A new numerical approach to entanglement entropies of the Renyi type is proposed for one-dimensional quantum field theories. The method extends the truncated conformal spectrum approach and we will demonstrate that it is especially suited…
A coupled oscillator system displays enhanced sensitivity of its saturated steady-state (SS) oscillation frequency to small parameter perturbations near an exceptional point degeneracy (EPD), a property that can be used to realize EPD-based…
Molecules that have been suggested to violate the Hund's rule, having a first excited singlet state (S$_1$) energetically below the triplet state (T$_1$), are rare. Yet, they hold the promise to be efficient light emitters. Their…
This work is concerned with the excited state quantum phase transitions (ESQPTs) defined in Ann.Phys. 323, 1106 (2008). In many-body models that exhibit such transitions, the ground state quantum phase transition (QPT) occurs in parallel…
We introduce and benchmark a systematically improvable route for excited-state calculations, state-specific configuration interaction ($\Delta$CI), \alert{which is a particular realization of multiconfigurational self-consistent field and…