Related papers: Comparing real-time coupled cluster methods throug…
We present the implementation of relativistic coupled cluster quadratic response theory (QR-CC), following our development of relativistic equation of motion coupled cluster quadratic response theory (QR-EOMCC) [X. Yuan et al., J. Chem.…
The density matrix formalism and the equation of motion approach are two semi-analytical methods that can be used to compute the non-equilibrium dynamics of correlated systems. While for a bilinear Hamiltonian both formalisms yield the…
The article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb (DC)…
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…
To address the impact of electron correlations in the linear and non-linear response regimes of interacting many-electron systems exposed to time-dependent external fields, we study one-dimensional (1D) systems where the interacting problem…
The generalized time-dependent generator coordinate method (TD-GCM) is extended to include pairing correlations. The correlated GCM nuclear wave function is expressed in terms of time-dependent generator states and weight functions. The…
While limited coupled cluster theory is \textit{formally} nonvariational, it is not broadly appreciated whether this is a major issue \textit{in practice}. We carried out a detailed comparison with \textit{de facto} full CI energies for a…
A time-dependent vibrational electronic coupled-cluster (VECC) approach is proposed to simulate photoelectron/ UV-VIS absorption spectra, as well as time-dependent properties for non-adiabatic vibronic models, going beyond the…
A discrete time crystal (DTC) repeats itself with a rigid rhythm, mimicking a ticking clock set by the interplay between its internal structures and an external force. DTCs promise profound applications in precision time-keeping and other…
Electron Paramagnetic Resonance experiments show that the decay of Rabi oscillations of ensembles of spin qubits depends noticeably on the microwave power and more precisely on the Rabi frequency, an effect recently called "driven…
Simulating Hamiltonian dynamics is one of the most fundamental and significant tasks for characterising quantum materials. Recently, a series of quantum algorithms employing block-encoding of Hamiltonians have succeeded in providing…
Inspired by the work of McGlynn and Simenel [Phys. Rev. C {\bf 102}, 064614 (2020)], this study investigates the quantum tunneling of two interacting distinguishable particles in two potential wells. We first benchmark the system by…
We present a derivation of the Redfield formalism for treating the dissipative dynamics of a time-dependent quantum system coupled to a classical environment. We compare such a formalism with the master equation approach where the…
In the present work we report an implementation of the rank-reduced equation-of-motion coupled cluster method with approximate triple excitations (RR-EOM-CC3). The proposed variant relies on tensor decomposition techniques in order to…
Similarity transformed equation-of-motion coupled cluster theory (STEOM-CC) is an alternative approach to equation-of-motion coupled cluster theory for excited states (EOMEE-CC) which uses a second similarity transformation of the…
It is known that under resonance conditions, a group of strongly interacting bosonic atoms, trapped in a double-well potential, mimics a single particle, performing Rabi oscillations between the wells. By implication, all atoms need to…
Discrete time crystals (DTCs) are new phases of matter characterized by the presence of an observable evolving with $nT$ periodicity under a $T$-periodic Hamiltonian, where $n>1$ is an integer insensitive to small parameter variations. In…
This article emphasizes on inconsistencies in the dynamical estimates obtained by first-order transverse discontinuity mapping (TDM) and direct numerical observations for hybrid dynamical systems. Pitfalls of locally linearizing hybrid…
We develop a time-dependent variational Monte Carlo (t-VMC) method for quantum dynamics of strongly correlated electrons. The t-VMC method has been recently applied to bosonic systems and quantum spin systems. Here, we propose a…
Natural orbital theory is a computationally useful approach to the few and many-body quantum problem. While natural orbitals are known and applied since many years in electronic structure applications, their potential for time-dependent…