Related papers: Ultrafast Intersystem Crossing in SO$_2$ and Nucle…
Ab initio molecular dynamics including non-adiabatic and spin-orbit couplings on equal footing is used to unravel the deactivation of cytosine after UV light absorption. Intersystem crossing (ISC) is found to compete directly with internal…
We report ab initio excited-state dynamics simulations on isolated thymine to investigate the mechanism of intersystem crossing, based on CASSCF potential energy surfaces and the \textsc{Sharc} surface hopping method. We show that even…
The importance of triplet states in the photorelaxation dynamics of SO2 is studied by mixed quantum-classical dynamics simulations. Using the Surface Hopping including ARbitrary Couplings (Sharc) method, intersystem crossing processes…
It is shown that bifurcations of the mean-field dynamics of a Bose-Einstein condensate can be related with the quantum phase transitions of the original many-body system. As an example we explore the intra-band tunneling in the…
The dipole-coupled two-level atoms(qubits) in a single-mode resonant cavity is studied by extended bosonic coherent states. The numerically exact solution is presented. For finite systems, the first-order quantum phase transitions occur at…
The phase transitions in a realistic system with triplet pairing, dense neutron matter, have been investigated. The spectrum of phases of the $^3P_2-^3F_2$ model, which adequately describes pairing in this system, is analytically…
An effective Hamiltonian describing interaction between generic "fast" and a "slow" systems is obtained in the strong interaction limit. The result is applied for studying the effect of quantum phase transition as a bifurcation of the…
We investigate the cascade decay mechanism for ultrafast intersystem crossing mediated by the spin-orbit coupling in transition-metal complexes. A quantum-mechanical description of the cascading process that occurs after photoexcitation is…
Physics of many-body systems where particles are restricted to move in two spatial dimensions is challenging and even controversial: On one hand, neither long-range order nor Bose condensation may appear in infinite uniform 2D systems at…
Systems with long-range interactions when quenced into a metastable state near the pseudo-spinodal exhibit nucleation processes that are quite different from the classical nucleation seen near the coexistence curve. In systems with…
Successive quantum transitions in an intermediate regime are shown to exist between the superfluid and Mott insulating states for interacting bosonic atoms in one dimension with a trapping potential. These transitions, which are caused by…
Pronounced structural changes within individual configurations (Type I QPT), superimposed on an abrupt crossing of these configurations (Type II QPT), define the notion of intertwined quantum phase transitions (QPTs). We discuss and present…
Quantum phase transitions occur at zero temperature, when the ground state of a Hamiltonian undergoes a qualitative change as a function of a control parameter. We consider a particularly interesting system with competing one-, two- and…
The evolution of particulate and multiphase systems can transition from dynamic regimes, governed by classical transport equations with well-defined damping coefficients, to anomalously slow relaxation described by rate equations when the…
Coupled pairs of nuclear spins-1/2 support one singlet state and three triplet states. Transitions between the singlet state and one of the triplet states may be driven by an oscillating low-frequency magnetic field, in the presence of…
The photoinduced switching of Fe(II)-based spin-crossover complexes from singlet to quintet takes place at ultrafast time scales. This a priori spin-forbidden transition triggered numerous time-resolved experiments of solvated samples to…
The decay of metastable states is dominated by quantum tunneling at low temperatures and by thermal activation at high temperatures. The escape rate of a particle out of a square well is calculated within a semi-classical approximation and…
Qubits based on the singlet (S) and the triplet (T0, T+) states in double quantum dots have been demonstrated in separate experiments. It has been recently proposed theoretically that under certain conditions a quantum interference could…
The premelting of ice is well known, but little is known about how the premelted and solid surfaces convert to each other. In this work, the transition dynamics between two phases are revealed with large-scale molecular dynamics…
We explore the correlated quantum dynamics of a single atom, regarded as an open system, with a spatio-temporally localized coupling to a finite bosonic environment. The single atom, initially prepared in a coherent state of low energy,…