Related papers: Why do mixed quantum-classical methods describe sh…
Coupled cluster theory in the standard formulation is unable to correctly describe conical intersections among states of the same symmetry. This limitation has restricted the practical application of an otherwise highly accurate electronic…
Nonadiabaticity, i.e., the effect of mixing electronic states by nuclear motion, is a central phenomenon in molecular science. The strongest nonadiabatic effects arise due to the presence of conical intersections of electronic energy…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…
The asymmetric quantum Rabi model (AQRM), which describes the interaction between a quantum harmonic oscillator and a biased qubit, arises naturally in circuit quantum electrodynamic circuits and devices. The existence of hidden symmetry in…
Nonadiabatic geometric quantum computation (NGQC) has emerged as an excellent proposal for achieving fast and robust quantum control against control errors. However, previous NGQC protocols could not be strongly resilient against the noise…
Quasiclassical methods for non-adiabatic quantum dynamics can reveal new features of quantum effects, such as tunneling evolution, that are harder to reveal in standard treatments based on wave functions of stationary states. Here, these…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…
When a quantum mechanical system undergoes an adiabatic cyclic evolution it acquires a geometrical phase factor in addition to the dynamical one. This effect has been demonstrated in a variety of microscopic systems. Advances in…
This article deals with non-adiabatic processes (i.e. processes excluded by the adiabatic theorem) from the geometrical (group-theoretical) point of view. An approximated formula for the probabilities of the non-adiabatic transitions is…
Quantum reactive scattering calculations for the hydrogen exchange reaction H + H$_2$($v=4$, $j=0$) $\to$ H + H$_2$($v'$, $j'$) and its isotopic analogues are reported for ultracold collision energies. Due to the unique properties…
In this article we provide a review of geometrical methods employed in the analysis of quantum phase transitions and non-equilibrium dissipative phase transitions. After a pedagogical introduction to geometric phases and geometric…
We introduce an improved semiclassical dynamics approach to quantum vibrational spectroscopy. In this method, a harmonic-based phase space sampling is preliminarily driven toward non-harmonic quantization by slowly switching on the actual…
Geometric phase has found a broad spectrum of applications in both classical and quantum physics, such as condensed matter and quantum computation. In this paper we introduce an operational geometric phase for mixed quantum states, based on…
It is of high interest, in the context of Adiabatic Quantum Computation, to better understand the complex dynamics of a quantum system subject to a time-dependent Hamiltonian, when driven across a quantum phase transition. We present here…
The violation of detailed balance poses a serious problem for the majority of current quasiclassical methods for simulating nonadiabatic dynamics. In order to analyze the severity of the problem, we predict the long-time limits of the…
Recently, nonadiabatic geometric quantum computation has been received great attentions, due to its fast operation and intrinsic error resilience. However, compared with the corresponding dynamical gates, the robustness of implemented…
Multichannel quantum defect theory (MQDT) has been widely applied to resonant and non-resonant scattering in a variety of atomic collision processes. In recent years, the method has been applied to cold collisions with considerable success,…
The relation between the dynamical properties of a coupled quasiparticle-oscillator system in the mixed quantum-classical and fully quantized descriptions is investigated. The system is considered to serve as a model system for applying a…
We consider dynamics of Dicke models, with and without counterrotating terms, under slow variations of parameters which drive the system through a quantum phase transition. The model without counterrotating terms and sweeped detuning is…