Related papers: Nonadiabatic corrections to rovibrational levels o…
This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer systems and provides a systematic method for deriving corrections to mixed quantum-classical methods. Specifically, an exact path integral…
We examine time-resolved X-ray diffraction from molecules in the gas phase which undergo nonadiabatic avoided-crossing dynamics involving strongly coupled electrons and nuclei. Several contributions to the signal are identified,…
Perturbed version of the complex Toda chain (CTC) has been employed to describe adiabatic interactions within N-soliton train of the nonlinear Schrodinger equation (NLS). Perturbations induced by weak quadratic and periodic external…
In this article we have developed a formalism to obtain the solution of Schroedinger equation in a non-inertial frame. The frame is moving relative to an inertial frame with an acceleration. The formulation has been developed using…
Nonadiabatic molecular dynamics simulations aim to describe the coupled electron-nuclear dynamics of molecules in excited electronic states. These simulations have been applied to understand a plethora of photochemical and photophysical…
Large amplitude collective motion is investigated for a model pairing Hamiltonian containing an avoided level crossing. A classical theory of collective motion for the adiabatic limit is applied utilising either a time-dependent mean-field…
A non-adiabatic nuclear wavepacket dynamics simulation of the H$_2$O$^+$ de-excitation process is performed based on electronic structure calculations using the variational quantum eigensolver. The adiabatic potential energy surfaces and…
Far-off-resonant pulsed laser fields produce negligible excitation between two atomic states but may induce considerable phase shifts. The acquired phases are usually calculated by using the adiabatic-elimination approximation. We analyze…
The moment of inertia for nuclear collective rotations is derived within a semiclassical approach based on the Inglis cranking and Strutinsky shell-correction methods, improved by surface corrections within the nonperturbative…
The behavior of polyatomic molecules around their equilibrium positions can be regarded as quantum coupled anharmonic oscillators. Solving the corresponding Schr\"odinger equations can interpret or predict experimental spectra of molecules.…
The proposal of the optical scheme for holonomic quantum computation is evaluated based on dynamical resolution to the system beyond adiabatic limitation. The time-dependent Schr\"{o}dinger equation is exactly solved by virtue of the…
We introduce the prodiabatic elimination, a powerful approximation technique that systematically extends the adiabatic elimination of fast degrees of freedom in light-matter coupled systems. Through a controlled expansion of operators, the…
Three-body systems in two dimensions with zero-range interactions are considered for general masses and interaction strengths. The problem is formulated in momentum space and the numerical solution of the Schr\"odinger equation is used to…
Within the effective mass approximation an adiabatic description of spheroidal and dumbbell quantum dot models in the regime of strong dimensional quantization is presented using the expansion of the wave function in appropriate sets of…
The electronic, rotational, and vibrational components of the ultrafast optical nonlinearity in H$_2$ and D$_2$ are measured directly and absolutely at intensities up to the ionization threshold of $\sim$10$^{14}$ W/cm$^2$. As the most…
We consider a two-level system coupled to an environment that evolves non-adiabatically. We present a non-perturbative method for determining the persistence amplitude whose phase contains all the corrections to Berry's phase produced by…
We obtain the bound-state solutions of the radial Schr\"odinger equation (SE) with the shifted Deng-Fan (sDF) oscillator potential in the frame of the Nikiforov-Uvarov (NU) method and employing Pekeris-type approximation to deal with the…
Due to technological needs, nanoscale heat management, energy conversion and quantum thermodynamics have become key areas of research, putting heat pumps and nanomotors center stage. The treatment of these particular systems often requires…
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…
With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the…