Related papers: Self-consistent collective coordinate for reaction…
We have developed a new method for determining microscopically the fivedimensional quadrupole collective Hamiltonian, on the basis of the adiabatic self-consistent collective coordinate method. This method consists of the constrained…
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
Modern adiabatic quantum computers (AQC) are already used to solve difficult combinatorial optimisation problems in various domains of science. Currently, only a few applications of AQC in computer vision have been demonstrated. We review…
We develop a generic method in Liouville space to describe the dissipative dynamics of coherent interacting quantum dots with adiabatic time dependence beyond linear response. We show how the adiabatic response can be related to effective…
The non-perturbative method to compute Adiabatic Time Dependent Hartree Fock Bogoliubov (ATDHFB) collective inertias is extended to the Generator Coordinate Method (GCM) including the case of density dependent forces. The two inertias…
It is shown that the atom-molecule collision problem in the presence of an external electric field can be solved using the total angular momentum representation in the body-fixed coordinated frame, leading to a computationally efficient…
The (semi-)microscopic double-folding nucleus-nucleus optical potentials are suggested for consideration of inelastic scattering with excitation of collective nuclear states by using the adiabatic approach and the elastic scattering…
In the density distribution of a deformed target-nucleus, the spherical $\lambda = 0$ and the deformed $\lambda = 2$ parts were considered. On this basis, the corresponding potential parts $U_0$ and $U^{(2)}_{int}$ of a double -folding…
We review the recent progress on studying the nuclear collective dynamics by solving the Boltzmann-Uehling-Uhlenbeck (BUU) equation with the lattice Hamiltonian method treating the collision term by the full-ensemble stochastic collision…
We propose a cross-entropy minimization method for finding the reaction coordinate from a large number of collective variables in complex molecular systems. This method is an extension of the likelihood maximization approach describing the…
The reaction rates for alpha capture processes on self-conjugate nuclei in the mass range A=20-40 have been investigated. The rates were calculated using the statistical model code NON-SMOKER taking into account isospin suppression rules.…
The collective motion of a finite nuclear system is investigated by numerical simulation and by linear response theory. Using a pseudo-particle simulation technique we analyze the giant resonances with a multipole decomposition scheme. We…
The autocorrelation function of the force acting on a slow classical system, resulting from interaction with a fast quantum system is calculated following Berry-Robbins and Jarzynski within the leading order correction to the adiabatic…
A model Hamiltonian describing a two-level system with a crossing plus a pairing force is investigated using technique of large-amplitude collective motion. The collective path, which is determined by the decoupling conditions, is found to…
We present a new method for the numerical calculation of canonical reaction rate constants in complex molecular systems, which is based on a path integral formulation of the flux-flux correlation function. Central is the partitioning of the…
This work spotlights the Statistical Adiabatic Channel Model as an efficient and accurate method for deriving low temperature (de)-excitation rate coefficients for collisions induced by heavy projectiles. For such systems, fully quantum…
We compute moments of the isoscalar monopole response of N = Z closed-shell nuclei based on chiral nucleon-nucleon plus three-nucleon interactions. We employ the random phase approximation (RPA) and two ab initio many-body approaches, the…
We investigate a description of shape-mixing and shape-transitions using collective coordinates. To that end we apply a theory of adiabatic large-amplitude motion to a simplified nuclear shell-model, where the approximate results can be…
We formulate a Lattice Hamiltonian approach for the modeling of intermediate energy heavy ion collisions. After verifying stationary ground state solutions, we implement this in a calculation of nuclear stopping power and compare our…
Finding optimal pathways in chemical reaction networks is essential for elucidating and designing chemical processes, with significant applications such as synthesis planning and metabolic pathway analysis. Such a chemical pathway-finding…