Related papers: Configuration weight function method to solve the …
In this paper we present an approach aimed at performing many-body calculations of Born-effective charges of crystalline insulators, by including the electron-correlation effects. The scheme is implemented entirely in the real space, using…
In the present letter, it is demonstrated how full configuration interaction (FCI) results in extended basis sets may be obtained to within sub-kJ/mol accuracy by decomposing the energy in terms of many-body expansions in the virtual…
It is shown that the Schr\"{o}dinger equation for a system of interacting particles whose Compton wavelengths are of the same order of magnitude as the system size is contradictory and is not strictly nonrelativistic, because it is based on…
A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff $\Lambda$. These are constructed from a model space containing determinants with energy relative to that of the most stable…
We present a variational Monte Carlo method that solves the nuclear many-body problem in the occupation number formalism exploiting an artificial neural network representation of the ground-state wave function. A memory-efficient version of…
Using Mathematica 3.0, the Schroedinger equation for bound states is solved. The method of solution is based on a numerical integration procedure together with convexity arguments and the nodal theorem for wave functions. The interaction…
The molecular Schr\"odinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear)…
The total energies of twenty eight bound S-, P-, D-, F-, G-, H-, and I-states in the three-electron systems Li atom and Be+ ion, respectively, are determined with the use of the Configuration Interaction (CI) with Slater orbitals and L-S…
The numerical solution of the recently formulated number-projected Hartree-Fock-Bogoliubov equations is studied in an exactly soluble cranked-deformed shell model Hamiltonian. It is found that the solution of these number-projected…
n a recent paper we proposed the expansion of the space of variations in energy calculations by considering the approximate wave function $\psi$ to be a functional of functions $\chi: \psi = \psi[\chi]$ rather than a function. For the…
A solvable many-body problem in the plane is exhibited. It is characterized by rotation-invariant Newtonian (``acceleration equal force'') equations of motion, featuring one-body (``external'') and pair (``interparticle'') forces. The…
The full analytical solution of the Schr\"{o}dinger equation for the hydrogen molecular ion $H_2^+$ (special case of the quantum tree-body problem with the Coulomb interaction) is obtained first. The solution shows that the total wave…
The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems…
We consider a general class of discrete unitary dynamical models on the lattice. We show that generically such models give rise to a wavefunction satisfying a Schroedinger equation in the continuum limit, in any number of dimensions. There…
A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…
We present an exact solution of the nonstationary Schrodinger equation for the Kondo Hamiltonian with a time-dependent spin-exchange coupling $J(t)$ under periodic boundary conditions. Unlike previously studied time-dependent integrable…
Efficient implementations of electronic structure methods are essential for first-principles modeling of molecules and solids. We here present a particularly efficient common framework for methods beyond semilocal density-functional theory,…
Precise algorithms capable of providing controlled solutions in the presence of strong interactions are transforming the landscape of quantum many-body physics. Particularly exciting breakthroughs are enabling the computation of non-zero…
Quantum mechanics has about a dozen exactly solvable potentials. Normally, the time-independent Schroedinger equation for them is solved by using a generalized series solution for the bound states (using the Froebenius method) and then an…
The goal is a construction of stationary solutions close to a non-trivial combination of two plane waves at high energies for a periodic non-linear Schroedinger equation in dimension two. The corresponding isoenergetic surfaces are…