相关论文: A simple and surprisingly accurate approach to the…

In this review we first discuss extension of Bohr's 1913 molecular model and show that it corresponds to the large-D limit of a dimensional scaling (D-scaling) analysis, as developed by Herschbach and coworkers. In a separate but synergetic…

We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…

We introduce a one-parameter deformation for one-dimensional (1D) quantum lattice models, the hyperbolic deformation, where the scale of the local energy is proportional to cosh lambda j at the j-th site. Corresponding to a 2D classical…

In electronic structure calculations, the correlation energy is defined as the difference between the mean field and the exact solution of the non relativistic Schr\"odinger equation. Such an error in the different calculations is not…

Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…

We derive the effective one-dimensional Schrodinger-Pauli equation for electrons constrained to move on a space curve. The electrons are confined using a double thin-wall quantization procedure with adiabatic separation of fast and slow…

Schr\"odinger equations with nonlinearities concentrated in some regions of space are good models of various physical situations and have interesting mathematical properties. We show that in the semiclassical limit it is possible to…

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…

We develop a simple model of shape resonances in electron-molecule collisions that is based on the modified effective-range expansion and analytical solutions of the Schrodinger equation for the long-range part of the interaction potential.…

We start from a parity-breaking MCS QED$_{3}$ model with spontaneous breaking of the gauge symmetry as a framework for evaluation of the electron-electron interaction potential and for attainment of numerical values for the e-e bound state.…

A new mathematical model for the description of three electron quantum dots in 2D space is created, and ground states of this system in external magnetic field is investigated. The Schrodinger equation for three two-dimensional electrons is…

For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…

In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schr\"odinger equation for molecules. It is based on the combination of a many-body expansion, which corresponds to the so-called bond order…

By considering the Higgs mechanism in the framework of a parity-preserving Planar Quantum Electrodynamics, one shows that an attractive electron-electron interaction may come out. The e-e interaction potential emerges as the…

We find an unexpected scaling in the correlation energy of artificial atoms, i.e., harmonically confined two-dimensional quantum dots. The scaling relation is found through extensive numerical examinations including Hartree-Fock,…

We have implemented a three-dimensional finite element approach, based on tricubic polynomials in spherical coordinates, which solves the Schrodinger equation for scattering of a low energy electron from a molecule, approximating the…

We study the energy spectrum of the two-electron spherical parabolic quantum dot using the exact Schroedinger, the Hartree-Fock, and the Kohn-Sham equations. The results obtained by applying the shifted-1/N method are compared with those…

[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 present analytical solutions of the Schrodinger equation for the one-dimensional hydrogen molecular ion. In particular, we present closed form expressions for the electronic energy curves of this system that correspond to the ground…

The exactly solvable model of quasi-conical quantum dot, having a form of spherical sector is proposed. Due to the specific symmetry of the problem the separation of variables in spherical coordinates is possible in the one-electron…