Related papers: An Efficient and Accurate Grid Method for Solving …
We have developed the Coulomb wave function discrete variable representation (CWDVR) method to solve the imaginary time dependent Kohn - Sham equation on the many - electronic second row atoms. The imaginary time dependent Kohn - Sham…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
We studied nonrelativistic collision of antiproton with hydrogen atom by solving time-dependent Schrodinger equation numerically. Coulomb wave function discrete variable method (CWDVR) had been used to calculate electron wave function…
The nondirect product discrete variable representation (npDVR) is developed for the time-dependent Schr\"odinger equation with nonseparable angular variables and is applied to a hydrogen atom in elliptically polarized strong laser fields.…
The systems with small binding energies and widely distributed in space bound-state wave functions are considered. Because the interaction potential is weak and rather localized compared to the characteristic sizes of wave functions of…
We have been calculated the ground state charge densities and energies of noble gas atoms through a single time dependent quantum fluid Schr$\ddot{o}$dinger equation. By using imaginary - time, the Schr$\ddot{o}$dinger equation has been…
The time-dependent variational principle is used to optimize the linear and nonlinear parameters of Gaussian basis functions to solve the time-dependent Schrodinger equation in 1 and 3 dimensions for a one-body soft Coulomb potential in a…
We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…
The correlation discrete variable representation (CDVR) enables efficient quantum dynamics calculation with the multi-layer multi-configurational time-dependent Hartree (MCTDH) approach on general potential energy surfaces. It employs a…
We present a novel numerical method and algorithm for the solution of the 3D axially symmetric time-dependent Schr\"odinger equation in cylindrical coordinates, involving singular Coulomb potential terms besides a smooth time-dependent…
Accurate time-dependent quantum dynamics of Coulombic systems on grid-based representations remains computationally demanding due to the singularity of the Coulomb potential, which necessitates extremely fine spatial grids to mitigate…
This hybrid method (FE-DVR), introduced by Resigno and McCurdy, Phys. Rev. A 62, 032706 (2000), uses Lagrange polynomials in each partition, rather than "hat" functions or Gaussian functions. These polynomials are discrete variable…
Nonrelativistic collision of proton and antiproton with hydrogen atom described by solving time-dependent Schrodinger equation numerically. Coulomb wave function discrete variable method (CWDVR) had been used to calculate electron wave…
Linear combinations of complex gaussian functions, where the linear and nonlinear parameters are allowed to vary, are shown to provide an extremely flexible and effective approach for solving the time-dependent Schr\"odinger equation in one…
We have developed an efficient approach for treating low-dimensional few-body processes in confined geometry of atomic and hybrid atom-ion traps. It based on the split-operator method in 2D discrete-variable representation (DVR) suggested…
We present a time-dependent framework that combines a hybrid Gaussian-FEDVR basis with a multicenter grid to simulate strong-field and attosecond dynamics in atoms and molecules. The method incorporates the construction of the orthonormal…
The full-dimensional time-dependent Schrodinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange…
The Schr\"odinger equation is solved numerically for charmonium using the discrete variable representation (DVR) method. The Hamiltonian matrix is constructed and diagonalized to obtain the eigenvalues and eigenfunctions. Using these…
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…
In this work we present the theoretical framework for the solution of the time-dependent Schr\"{o}dinger equation (TDSE) of atomic and molecular systems under strong electromagnetic fields with the configuration space of the electron's…