Related papers: Ab initio potential energy surfaces for NH-NH with…
We present a simple and effective method for evaluating double-and single-layer potentials for Laplace's equation in three dimensions close to the boundary. The close evaluation of these layer potentials is challenging because they are…
In order to study electron-transfer mediated chemical processes on a metal surface, one requires not one but two potential energy surfaces (one ground state and one excited state) as in Marcus theory. In this letter, we report that a novel,…
We show that the energy levels predicted by a 1/N-expansion method for an N-dimensional Hydrogen atom in a spherical potential are always lower than the exact energy levels but monotonically converge towards their exact eigenstates for…
The n-vicinities method for approximate calculations of the partition function of a spin system was proposed previously. The equation of state was obtained in the most general form. In the present publication these results are adapted to…
We present a theoretical study of the processes d(d,p)3H and d(d,n)3He at energies of interest for energy production and for big-bang nucleosynthesis. We accurately solve the four body scattering problem using the ab-initio hyperspherical…
Complete energy spectrum is obtained for the quantum mechanical problem of N one dimensional equal mass particles interacting via potential $$V(x_1,x_2,...,x_N) = g\sum^N_{i < j}{1\over (x_i-x_j)^2} - {\alpha\over \sqrt{\sum_{i < j}…
Rate coefficient for state-to-state rotational transitions in H+ collision with CS has been obtained using accurate quantum dynamical close-coupling calculations to interpret microwave astronomical observations. Accurate three dimensional…
We calculate the nuclear and neutron matter equations of state from microscopic nuclear forces at different orders in chiral effective field theory and with varying momentum-space cutoff scales. We focus attention on how the order-by-order…
We present and compare several many-body methods as applied to two-dimensional quantum dots with circular symmetry. We calculate the approximate ground state energy using a harmonic oscillator basis optimized by Hartree-Fock (HF) theory and…
We present a complete prescription for the numerical calculation of surface Green's functions and self-energies of semi-infinite quasi-onedimensional systems. Our work extends the results of Sanvito et al. [1] generating a robust algorithm…
We obtain the exact energy spectrum of nonuniform mass particles for a collection of Hamiltonians in a three-dimensional approach to a quantum dot. By considering a set of generalized Schr\"odinger equations with different orderings between…
A recently developed three-dimensional Faddeev integral equations for three-nucleon bound state with two-nucleon interactions have been solved in momentum space for Bonn-B potential.
An interatomic potential for the diamond and graphite phases of carbon has been created using a neural-network (NN) representation of the ab initio potential energy surface. The NN potential combines the accuracy of a first-principle…
We present an extensive numerical study of the Sherrington-Kirkpatrick model in transverse field. Recent numerical studies of quantum spin-glasses have focused on exact diagonalization of the full Hamiltonian for small systems ($\approx$ 20…
A full six-dimensional Born-Oppenheimer singlet potential energy surface is constructed for the reaction CaF + CaF $\rightarrow$ CaF$_2$ + Ca using a multireference configuration interaction (MRCI) electronic structure calculation. The {\it…
Basics of the Born-Oppenheimer (B-O) approximation are reviewed. Assuming the domain of applicability of B-O approximation is limited to 4 significant digits (s.d.) in energy spectrum, where mass, relativistic and QED corrections do NOT…
In this article, we present the analytical solution of the radial Schr\"{o}dinger equation for the Hulth\'{e}n potential within the framework of the asymptotic iteration method by using an approximation to the centrifugal potential for any…
Four-quark potentials for $SU(2)$ are evaluated in the static limit with the quenched approximation -- using a lattice of $16^3\times 32$ and $\beta=2.4$. The four quarks are restricted to the corners of rectangles with sides upto seven…
We show that the Born-Oppenheimer potential energy surface in Kohn-Sham theory behaves like the corresponding one in Thomas-Fermi theory up to $o(R^{-7})$ for small nuclear separation $R$. We also prove that if a minimizing configuration…
We take an additional step towards the optimization of the novel finite-range pseudopotential at constrained Hartree-Fock-Bogolyubov level and implement an optimization procedure within an axial code using harmonic oscillator basis. We…