Related papers: Benchmarking an improved statistical adiabatic cha…
There exists a geometric phase for a quantum state during the adiabatic evolution of the system. If the adiabatic procedure happens between the system and the environment interacting with it similar to Born-Oppenheimer (BO) approximation,…
We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…
A new database of collisional rate coefficients for transitions between the rotational states of H$_2$O collided with H$_2$ background gas is developed. The goal is to expand over the other existing databases in terms of the rotational…
Inelastic processes rate coefficients for low-energy Sr + H, Sr$^+$ + H$^-$, Sr$^+$ + H and Sr$^{2+}$ + H$^-$ collisions are calculated using multichannel quantum model approach. 31 scattering channels of SrH$^+$ and 17 scattering channels…
The adiabatic approximation exhibits wide applicability in quantum mechanics, providing a simple approach for nontransitional dynamics in quantum systems governed by slowly varying time-dependent Hamiltonians. However, the standard…
Existing quantum algorithms for quantum chemistry work well near the equilibrium geometry of molecules, but the results can become unstable when the chemical bonds are broken at large atomic distances. For any adiabatic approach, this…
We derive an exact solution of an explicitly time-dependent multichannel model of quantum mechanical nonadiabatic transitions. In the limit N >>1, where N is the number of states, we find that the survival probability of the initially…
Adiabatic quantum algorithms represent a promising approach to universal quantum computation. Whilst in a closed system these algorithms are limited by avoided level crossings, where the gap becomes exponentially small in the system size,…
The paper presents a theoretical study of the dynamics of the H + HCl system on the potential energy surface (PES) of Bian and Werner (Bian, W.; Werner, H. -J., J. Chem. Phys. 2000, 112, 220). A time-dependent wave packet approach was…
Modeling environments that are not in local thermal equilibrium, such as protoplanetary disks or planetary atmospheres, with molecular spectroscopic data from space telescopes requires knowledge of the rate coefficients of rovibrationally…
The observation of non-classical correlations arising in interacting two to size weakly coupled Bose-Einstein condensates was recently reported by Esteve et al. [Nature 455, 1216 (2008)]. In order to observe fluctuations below the standard…
We analyze the performance of adiabatic quantum computation (AQC) under the effect of decoherence. To this end, we introduce an inherently open-systems approach, based on a recent generalization of the adiabatic approximation. In contrast…
The competition between evolution time, interaction strength, and temperature challenges our understanding of many-body quantum systems out-of-equilibrium. Here we consider a benchmark system, the Hubbard dimer, which allows us to explore…
We present a technique that dramatically improves the accuracy of adiabatic state transfer for a broad class of realistic Hamiltonians. For some systems, the total error scaling can be quadratically reduced at a fixed maximum transfer rate.…
We present a new approach to study the thermodynamic properties of $d$-dimensional classical systems by reducing the problem to the computation of ground state properties of a $d$-dimensional quantum model. This classical-to-quantum mapping…
Quantum algorithms are prominent in the pursuit of achieving quantum advantage in various computational tasks. However, addressing challenges, such as limited qubit coherence and high error rate in near-term devices, requires extensive…
We investigate entropy production in finitely slow transitions between nonequilibrium steady states in Markov jump processes using the improved adiabatic approximation method proposed by Takahashi, Fujii, Hino and Hayakawa [1]. This method…
The quantum adiabatic theorem is a fundamental result in quantum mechanics, with a multitude of applications, both theoretical and practical. Here, we investigate the dynamics of adiabatic processes for quantum many-body systems %in detail…
Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…
A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC)…