Related papers: Highly accurate wavefunctions for two-electron sys…
We make use of a recently developed method to, not only obtain the exactly known eigenstates and eigenvalues of a number of quasi-exactly solvable Hamiltonians, but also construct a convergent approximation scheme for locating those levels,…
An analysis of the analytical solution of the Schr\"{o}dinger equation (which is a second order differential equation) for $H_2^+$ shows that the second linear independent solution of this equation is a square integrable function and…
We formulate the calculation of the ground-state wavefunction and energy of a system of strongly correlated electrons in terms of scattering matrices. A hierarchy of approximations is introduced which results in an incremental expansion of…
We present two 2-body Hamiltonians that approximate the exact PH-Pfaffian wavefunction with their ground states for all the system sizes where this wavefunction has been numerically constructed to date. The approximate wavefunctions have…
We show that the exact wave function for two electrons, interacting through a Coulomb potential but constrained to remain on the surface of a $\mathcal{D}$-sphere ($\mathcal{D} \ge 1$), is a polynomial in the interelectronic distance $u$…
A general procedure for the optimization of atomic density-fitting basis functions is designed with the balance between accuracy and numerical stability in mind. Given one-electron wavefunctions and energies, weights are assigned to the…
New sets of functions with arbitrary large finite cardinality are constructed for two-electron atoms. Functions from these sets exactly satisfy the Kato's cusp conditions. The new functions are special linear combinations of Hylleraas-…
We show that electronic wave functions Psi of atoms and molecules have a representation Psi=F*phi, where F is an explicit universal factor, locally Lipschitz, and independent of the eigenvalue and the solution Psi itself, and phi has…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
A trial function is presented for the $H_2$ molecule which provides the most accurate (the lowest) Bohr-Oppenheimer ground state energy among few-parametric trial functions (with $\leq 14$ parameters). It includes the electronic correlation…
The energy and wave function of a harmonically confined two-electron system coupled to light is calculated by separating the wave functions of the relative and center of mass (CM) motions. The relative motion wave function has a known…
The quantum mechanics of two-electron systems is reviewed, starting with the ground state of the helium atom and helium-like ions, with central charge $Z\ge 2$. For Z=1, demonstrating the stability of the negative hydrogen ion, H$^-$,…
Highly accurate nonrelativistic ground-state wave function and energy of the lithium atom is obtained in the Hylleraas basis set. The leading relativistic corrections,as represented by Breit-Pauli Hamiltonian, are obtained in fair agreement…
The angular coefficients $\psi_{k,p}(\alpha,\theta)$ of the Fock expansion characterizing the S-state wave function of the two-electron atomic system, are calculated in hyperspherical angular coordinates $\alpha$ and $\theta$. To solve the…
We investigate the possibility of using a transcorrelated Hamiltonian to describe electron correlation. Amethod to obtain transcorrelatedwavefunctionswas developed based on the mathematical framework of the bi-variational principle. This…
We introduce two-parameter classes of exactly-solvable novel systems whose Hamiltonian operators could be represented by tridiagonal symmetric matrices in some orthogonal bases. The associated wavefunction is written as point-wise…
The hydrogen molecules $H_2$ and $(H_2)_2$ are analyzed with electronic correlations taken into account between the $1s$ electrons exactly. The optimal single-particle Slater orbitals are evaluated in the correlated state of $H_2$ by…
Wavefunctions constructed from electron-pair states can accurately model strong electron correlation effects and are promising approaches especially for larger many-body systems. In this article, we analyze the nature and the type of…
We show that the exact solution of the Schr\"odinger equation for two electrons confined to two distinct concentric rings or spheres can be found in closed form for particular sets of the ring or sphere radii. In the case of two concentric…
We report results of ab initio calculation of the spin-rotational Hamiltonian parameters including P- and P,T-odd terms for the BaF molecule. The ground state wave function of BaF molecule is found with the help of the Relativistic…