Related papers: Nonadiabatic corrections to rovibrational levels o…
The Schroedinger equation for N particles interacting through effective pair potentials is derived from the massless Nelson model with ultraviolet cutoffs. We consider a scaling limit where the particles are slow and heavy, but, in contrast…
We consider the linear and non linear cubic Schr\"odinger equations with periodic boundary conditions, and their approximations by splitting methods. We prove that for a dense set of arbitrary small time steps, there exists numerical…
On the basis of the concept of the growing role of nonadiabatic effects of the non-conservation of the quantum number $K,$ a theory has been developed of the phenomenon which has been given the name of backbending. Above the transition…
In coupled cluster methods, the electronic states are biorthonormal in the sense that the left states are orthonormal to the right states. Here we present an extension of this formalism to a left and right total molecular wave function.…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
Laser excitation pulses that lead to perfect adiabatic state transfer in an ensemble of three-level ladder atoms lead to highly entangled states of many atoms if their highest excited state is subject to Rydberg blockade. Solution of the…
Above-barrier reflection of cold alkali atoms by resonant laser light was considered analytically within the Gross-Pitaevskii approximation. Correction for the reflection coefficient because of a weak nonlinearity of the stationary…
The electric dipole polarizabilities of $^3$H, $^3$He, and $^4$He are calculated directly using the Schr\"odinger equation with the latest generation of two- and three-nucleon interactions. These polarizabilities are necessary in order to…
Molecular helium represents a benchmark system for testing $\textit{ab initio}$ calculations on few-electron molecules. We report on the determination of the adiabatic ionization energy of the $a\,^3\Sigma_u^+$ state of He$_2$,…
We analyze the 1D cubic nonlinear stationary Schr\"odinger equation on a ring with a defect for both focusing and defocusing nonlinearity. All possible $\delta$ and $\delta'$ boundary conditions are considered at the defect, computing for…
A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…
A shortcut-to-adiabatic protocol for the realization of a fast and high-fidelity controlled-phase gate in Rydberg atoms is developed. The adiabatic state transfer, driven in the high-blockade limit, is sped up by compensating nonadiabatic…
An adiabatic approximation to the selfconsistent collective coordinate method is formulated in order to describe large amplitude collective motions in superconducting nuclei on the basis of the time-dependent Hartree-Fock-Bogoliubov…
We consider the long-time dynamics of focusing energy-critical Schr\"odinger equation perturbed by the $\dot{H}^\frac{1}{2}$-critical nonlinearity and with inverse-square potential(CNLS$_a$) in dimensions $d\in\{3,4,5\}$…
The consistency of quantum adiabatic theorem has been doubted recently. It is shown in the present paper that the difference between the adiabatic solution and the exact solution to the Schrodinger equation with a slowly changing driving…
Using a generalized energy-conserving transition probability, it is shown how nonadiabatic calculations, within the Wigner-Heisenberg representation of quantum mechanics, can be reliably extended to far longer times than those allowed by a…
A particle-triaxial rigid core Hamiltonian is semi-classically treated. The coupling term corresponds to a particle rigidly coupled to the triaxial core, along a direction that does not belong to any principal plane of the inertia…
The present work focuses on the calculation of a non-adiabatic transition probability between two states which may or may not cross with each other and are coupled to each other by a moving $\delta$ function potential. Here, the time…
We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
Variational and perturbative relativistic energies are computed and compared for two-electron atoms and molecules with low nuclear charge numbers. In general, good agreement of the two approaches is observed. Remaining deviations can be…