Related papers: Highly accurate wavefunctions for two-electron sys…
We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…
The optimized effective potential equations for atoms have been solved by parameterizing the potential. The expansion is tailored to fulfill the known asymptotic behavior of the effective potential at both short and long distances. Both…
The static and dynamic polarizabilities, and the tune-out wavelengths of the ground state of Rb and the hyperfine ground states of $^{87, 85}$Rb have been calculated by using relativistic configuration interaction plus core…
Composite fermion wavefuctions have been used to describe electrons in a strong magnetic field. We show that the polynomial part of these wavefunctions can be obtained by applying a normal ordered product of suitably defined annihilation…
We suggest a method to calculate hyperfine anomaly for many-electron atoms and ions. At first, we tested this method by calculating hyperfine anomaly for hydrogen-like thallium ion and obtained fairly good agreement with analytical…
Electric field measurement in plasmas permits quantitative comparison between the experiment and the simulation in this study. An electro-optic (EO) sensor based on Pockels effect is demonstrated to measure wave electric fields in the…
We prove the statement in the title, for a suitable (wavefunction-dependent) choice of the underlying orbitals, and show that Three is optimal. Thus for two-electron systems, the QC-DMRG method with bond dimension Three combined with…
A two-parameter extension of the density-scaled double hybrid approach of Sharkas et al. [J. Chem. Phys. 134, 064113 (2011)] is presented. It is based on the explicit treatment of a fraction of multideterminantal exact exchange. The…
We perform a numerical simulation of Faraday waves forced with two-frequency oscillations using a level-set method with Lagrangian-particle corrections (particle level-set method). After validating the simulation with the linear stability…
We consider a model Hamiltonian for a dimer including all the electronic one- and two-body terms consistent with a single orbital per site, a free Einstein phonon term, and an electron-phonon coupling of the Holstein type. The bare…
This work deals with the problem of strongly correlated electrons in two-dimensions (2D). We give a reduced density matrix (RDM) based tool through which the ground-state energy is given as a functional of the natural orbitals and their…
A new scheme has been proposed to solve the B.E. condenstates in terms of Green's function approach. It has been shown that the radial wave function of two interacting atoms, moving in a common harmonic oscillator potential modified by an…
Eigenvalues and wave functions describing free electron gases in toroidal shells are determined using a basis set expansion natural to the system geometry. Couplings between azimuthal and poloidal modes are found to be appreciable at lower…
Calculations of the two-loop electron self-energy for the $n = 1$ and $n = 2$ states of hydrogen-like ions are reported, performed to all orders in the nuclear binding strength parameter $Z\alpha$ (where $Z$ is the nuclear charge number and…
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…
Recent experiments in the two dimensional electron systems in silicon MOSFETs have shown that the in-plane magnetic field $H_{sat}$ required to saturate the conductivity to its high-field value and the magnetic field $H_s$ needed to…
We consider the motion of a nonrelativistic electron in the field of two strong monochromatic light waves propagating counter to each other. The wave function of the electron is obtained by using a quasiclassical approximation and…
A number of methods are discussed which may serve for a treatment of electron correlations in solids. When the electron correlations are relatively weak like in semiconductors or a number of ionic crystals one may start from a…
The hydrogen negative ion H$^-$ is the simplest two-electron system that exists in nature. This system is not only important in astrophysics but it also serves as an ideal ground to study electron-electron correlations. The peculiar balance…
We present results of high-precision calculations for a boron atom's properties using wave functions expanded in the explicitly correlated Gaussian basis. We demonstrate that the well-optimized 8192 basis functions enable a determination of…