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The semiclassical Schr\"odinger equation with time-dependent potentials is an important model to study electron dynamics under external controls in the mean-field picture. In this paper, we propose two multiscale finite element methods to…
Present applications of the dispersive-optical-model analysis are restricted by the use of a local but energy-dependent version of the generalized Hartree-Fock potential. This restriction is lifted by the introduction of a corresponding…
The Hartree-Fock exchange potential is fundamental for capturing quantum mechanical exchange effects but faces critical challenges in large-scale applications due to its nonlocal and computationally intensive nature. This study introduces a…
This work presents exchange potentials for specific orbitals calculated by inverting Hartree-Fock wavefunctions. This was achieved by using a Depurated Inversion Method. The basic idea of the method relies upon the substitution of…
By expressing the electronic wavefunction in an explicitly-correlated (Jastrow-factorised) form, a similarity-transformed effective Hamiltonian can be derived. The effective Hamiltonian is non-Hermitian and contains three-body interactions.…
We present a simplified method to generate the Hartree-Fock Gamow basis from realistic nuclear forces. The Hartree-Fock iteration in the harmonic-oscillator basis is first performed, and then the obtained HF potential is analytically…
A new approximation scheme to the centrifugal term is proposed to obtain the $l\neq 0$ bound-state solutions of the Schr\"{o}dinger equation for an exponential-type potential in the framework of the hypergeometric method. The corresponding…
An exact solution for the scattering wavefunction from a nonlocal potential in the presence of Coulomb interaction is presented. The approach is based on the construction of a Coulomb Green's function in coordinate space whose associated…
A theory for wave mechanical systems with local inversion and translation symmetries is developed employing the two-dimensional solution space of the stationary Schr\"odinger equation. The local symmetries of the potential are encoded into…
We present a scattering model for nuclei with similar masses. In this three-body model, the projectile has a core+valence structure, whereas the target is identical to the core nucleus. The three-body wave functions must be symmetrized for…
The Hartree-Fock exchange operator is an integral operator arising in the Hartree-Fock method and replaced by a multiplicative operator (a local potential) in Kohn-Sham density functional theory. This article presents a detailed analysis of…
A method to solve the Schr\"{o}dinger equation based on the use of constant particle-particle interaction potential surfaces is proposed. The many-body wave function is presented in configuration interaction form with coefficients -…
Basing on analogy between the three-body scattering problem and the diffraction problem of the plane wave (for the case of the short range pair potentials) by the system of six half transparent screens, we presented a new approach to the…
We discuss the derivation of an equivalent \textit{l}-independent polarization potential for use in the optical Schr\"{o}dinger equation that describes the elastic scattering of heavy ions. Three diffferent methods are used for this…
[New and updated results were published in Nature Chemistry, doi:10.1038/s41557-020-0544-y.] The electronic Schr\"odinger equation describes fundamental properties of molecules and materials, but can only be solved analytically for the…
We introduce the package SWANLOP to calculate scattering waves and corresponding observables for nucleon elastic collisions off spin-zero nuclei. The code is capable of handling local and nonlocal optical potentials superposed to long-range…
A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is…
We study the effective approximation for a nonlocal stochastic Schrodinger equation with a rapidly oscillating, periodically time-dependent potential. We use the natural diffusive scaling of heterogeneous system and study the limit…
The approximation of the eigenvalues and eigenfunctions of an elliptic operator is a key computational task in many areas of applied mathematics and computational physics. An important case, especially in quantum physics, is the computation…
A new solvable hyperbolic single wave potential is found by expanding the regular solution of the 1D Schr\"odinger equation in terms of square integrable basis. The main characteristic of the basis is in supporting an infinite tridiagonal…