Related papers: On variational solution of the four-body Santilli-…
In this paper, we study the exact solution of the restricted isochemical model of $H_2$ molecule with fixed nuclei recently proposed by Santilli and Shillady in which the two electrons are assumed to be bonded/correlated into a…
We discuss electronic properties and their evolution for the linear chain of $H_2$ molecules in the presence of a uniform external force $f$ acting along the chain. The system is described by an extended Hubbard model within a fully…
A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…
A variational approach is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic energy containing monomer-monomer force constants…
We evaluate, by means of variational calculations, the bound state energy E_B of a pair of charges located on the surface of a cylinder, interacting via Coulomb potential - e^2 / r . The trial wave function involves three variational…
The variational Monte Carlo method is used to evaluate the ground-state energy of the confined hydrogen molecule, H_2. Accordingly, we considered the case of hydrogen molecule confined by a hard prolate spheroidal cavity when the nuclear…
Perhaps the simplest first-principles approach to electronic structure is to fit the charge distribution of each orbital pair and use those fits wherever they appear in the entire electron-electron (EE) interaction energy. The charge…
It is known that the variational methods are the most powerful tool for studying the Coulomb three-body bound state problem. However, they often suffer from loss of stability when the number of basis functions increases. This problem can be…
In this colloquium, we review the research on excitons in van der Waals heterostructures from the point of view of variational calculations. We first make a presentation of the current and past literature, followed by a discussion on the…
We apply the Hulth\`en-Kohn method suggested by V. D. Efros [Phys. Rev. C 99, 034620 (2019)] for calculating various observables in the continuum and discrete spectrum using two-body interactions in single- and coupled-channel systems. This…
By application of a straightforward variational procedure we derive a simple, analytic upper bound on the ground-state energy eigenvalue of a semirelativistic Hamiltonian for (one or two) spinless particles which experience some…
We report the implementation of 4-component spinor relativistic equation-of-motion coupledcluster method within the single- and double- excitation approximation to calculate ionization potential (EOM-CCSD) of molecules. We have applied this…
Variational Monte-Carlo calculations are carried out for ${_{\Lambda\Lambda}^4}H$ to explore on the possibility of its existence, using realistic NN, NNN, and phenomenological {\Lambda}N and {\Lambda}NN interactions. We also perform…
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…
We introduce a novel \abinitio many-body method designed to compute the properties of nuclei in the continuum. This approach combines well-established techniques, namely the Complex Scaling (CS) and Similarity Renormalization Group (SRG)…
The Gutzwiller wave function for the three-band Hubbard model on a two dimensional CuO$_2$ plane is studied by using the variational Monte Carlo (VMC) method in the limit $U_d \to \infty$, where $U_d$ is the Coulomb repulsion between holes…
A sixth order quadrupole boson Hamiltonian is treated through a time dependent variational principle approach choosing as trial function a coherent state with respect to zeroth $b^{\dagger}_0$ and second $b^{\dagger}_2+b^{\dagger}_{-2}$…
A four-body calculation of the $pn\Lambda\Lambda$ bound state, $^{\ 4}_{\Lambda\Lambda}$H, is performed using the stochastic variational method and phenomenological potentials. The $NN$, $\Lambda N$, and $\Lambda\Lambda$ potentials are…
The purpose of this paper is to propose a revised continuum model from the discrete system introduced in [Deng et.al., PRL, 2017] . Using a Galilean transformation, we obtain an equation governing the soliton solutions in the phase plane -…
We demonstrate the simulation of a noncollinear molecule, e.g. H2O molecule using Variational Quantum Eigensolver (VQE) with high chemical accuracy. The 2D and 3D potential energy surface (PES) were reported. Taking advantage of the…