相关论文: Local diabatic representation of conical intersect…

Open quantum systems described by a non-Hermitian Hamiltonian exhibit rich dynamics due to the topology of their complex energy spectrum. By encircling an exceptional point degeneracy, this topology allows for topological state transport,…

The use of the nuclear spins surrounding electron spin qubits as quantum registers and long-lived memories opens the way to new applications in quantum information and biological sensing. Hence, there is a need for generic and robust forms…

Counter-diabatic driving protocols were proposed as a means to do fast changes in the Hamiltonian without exciting transitions. Such driving in principle allows one to realize arbitrarily fast annealing protocols or implement fast…

Light-induced conical intersections (LICIs) can be formed both by standing or by running laser waves. The position of a LICI is determined by the laser frequency while the laser intensity controls the strength of the nonadiabatic coupling.…

Starting from a simple mapping of a generator of local stochastic dynamics to a quantum Hamiltonian, we derive a condition, which allows us to use the quasi-adiabatic evolution and so relate gapped quantum phases with non-equilibrium's.…

Interpolating the exchange-correlation energy along the density-fixed adiabatic connection of density functional theory is a promising way to build approximations that are not biased towards the weakly correlated regime. These…

We show that dressing of diatomic molecules by running laser waves gives rise to conical intersections (CIs). Due to presence of such CIs, the rovibronic molecular motions are strongly coupled. A pronounced impact of the CI on the spectrum…

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 present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…

Quantum state transformations that are robust to experimental imperfections are important for applications in quantum information science and quantum sensing. Counterdiabatic (CD) approaches, which use knowledge of the underlying system…

We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefunctions through chemical space at mean-field cost. The…

The interaction between electronic and vibrational degrees of freedom in single-molecule junctions may result from the dependence of the electronic energies or the electronic states of the molecular bridge on the nuclear displacement. The…

Within the present noisy intermediate-scale quantum-computing era, hybrid quantum-classical-processor algorithms have emerged as promising avenues for tackling electronic-structure eigenproblems. Among them, the so-called…

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…

Quantum dynamics on quasiperiodic geometries has recently gathered significant attention in ultra-cold atom experiments where non trivial localised phases have been observed. One such quasiperiodic model is the so called Fibonacci model. In…

We study the detection of electrons undergoing coherent transfer via adiabatic passage (CTAP) in a triple quantum-dot system with a quantum point-contact sensing the change of the middle dot. In the ideal scenario, the protocol amounts to…

A first principles quantum formalism to describe the non-adiabatic dynamics of electrons and nuclei based on a second quantization representation (SQR) of the electronic motion combined with the usual representation of the nuclear…

We show that techniques of spatial adiabatic passage can be used to realise an electron interferometer in a geometry analogous to a conventional Aharonov-Bohm ring, with transport of the particle through the device modulated using coherent…

We study the generation of electronic ring currents in the presence of nonadiabatic coupling using circularly polarized light. For this, we introduce a solvable model consisting of an electron and a nucleus rotating around a common center…

We investigate the construction of approximated exchange-correlation functionals by interpolating locally along the adiabatic connection between the weak- and the strong-coupling regimes, focussing on the effect of using approximate…